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)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000001108598 551610764 /nfs/dbraw/zinc/61/07/64/551610764.db2.gz DHBJEMQHVAREIO-HSZRJFAPSA-N 1 0 551.665 4.674 50 30 KJEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(Br)c1 ZINC000001458608 551677343 /nfs/dbraw/zinc/67/73/43/551677343.db2.gz PXCDFJLKBZAVNN-IBGZPJMESA-N 1 0 522.237 4.742 50 30 KJEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(Br)c1 ZINC000001458609 551677312 /nfs/dbraw/zinc/67/73/12/551677312.db2.gz PXCDFJLKBZAVNN-LJQANCHMSA-N 1 0 522.237 4.742 50 30 KJEARO O=C1c2ccccc2C(=O)C([n+]2ccc(Cc3ccccc3)cc2)=C1NS(=O)(=O)c1ccc(Br)cc1 ZINC000001873303 551720286 /nfs/dbraw/zinc/72/02/86/551720286.db2.gz XYMXTQZLUQPGPC-UHFFFAOYSA-O 1 0 560.449 4.554 50 30 KJEARO O=C1c2ccccc2C(=O)C([n+]2cccc(Cc3ccccc3)c2)=C1NS(=O)(=O)c1ccc(Br)cc1 ZINC000001890668 551726502 /nfs/dbraw/zinc/72/65/02/551726502.db2.gz VRBOOFLKXCFHFG-UHFFFAOYSA-O 1 0 560.449 4.554 50 30 KJEARO CC(C)CCn1c[n+](C2=C(NS(=O)(=O)c3ccc(Br)cc3)C(=O)c3ccccc3C2=O)c2ccccc21 ZINC000001899236 551729936 /nfs/dbraw/zinc/72/99/36/551729936.db2.gz OGHMHSNMXYZDLP-UHFFFAOYSA-O 1 0 579.496 4.964 50 30 KJEARO CN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(C[NH+]3CCCCC3)cc2)c2ccccc2S1(=O)=O ZINC000002395762 552110028 /nfs/dbraw/zinc/11/00/28/552110028.db2.gz REBGDHIKXREMAL-UHFFFAOYSA-N 1 0 516.619 4.715 50 30 KJEARO O=C(C[n+]1cccc(CNC(=O)c2ccc(OC(F)F)cc2)c1)Nc1cc(C(F)(F)F)ccc1Cl ZINC000003196389 552303297 /nfs/dbraw/zinc/30/32/97/552303297.db2.gz YEPHNYXENQJAPX-UHFFFAOYSA-O 1 0 514.858 4.816 50 30 KJEARO Cc1c(CCOC(=O)c2ccc(Cl)c([N+](=O)[O-])c2)sc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000003205256 552304576 /nfs/dbraw/zinc/30/45/76/552304576.db2.gz AZMWIXMJEUTFSF-UHFFFAOYSA-N 1 0 524.800 4.951 50 30 KJEARO CCOC(=O)c1c2cc(OC(C)=O)c(Br)cc2n(C)c1CSC(=[NH2+])Nc1ccccc1 ZINC000003878765 552421682 /nfs/dbraw/zinc/42/16/82/552421682.db2.gz KDUDETMGRBIWJF-UHFFFAOYSA-N 1 0 504.406 4.922 50 30 KJEARO O=C1c2ccccc2C(=O)C([n+]2ccc([C@H]3CC=CCC3)cc2)=C1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006115898 552534826 /nfs/dbraw/zinc/53/48/26/552534826.db2.gz SQTNVDHCRYFCLM-SFHVURJKSA-O 1 0 506.003 4.678 50 30 KJEARO O=C1c2ccccc2C(=O)C([n+]2ccc([C@@H]3CC=CCC3)cc2)=C1NS(=O)(=O)c1ccc(Cl)cc1 ZINC000006115899 552534904 /nfs/dbraw/zinc/53/49/04/552534904.db2.gz SQTNVDHCRYFCLM-GOSISDBHSA-O 1 0 506.003 4.678 50 30 KJEARO O=C1c2ccccc2C(=O)C([n+]2ccc([C@H]3CC=CCC3)cc2)=C1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006115948 552534807 /nfs/dbraw/zinc/53/48/07/552534807.db2.gz GYAWOIGFBLYNSS-SFHVURJKSA-O 1 0 550.454 4.787 50 30 KJEARO O=C1c2ccccc2C(=O)C([n+]2ccc([C@@H]3CC=CCC3)cc2)=C1NS(=O)(=O)c1ccc(Br)cc1 ZINC000006115949 552534827 /nfs/dbraw/zinc/53/48/27/552534827.db2.gz GYAWOIGFBLYNSS-GOSISDBHSA-O 1 0 550.454 4.787 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008383618 552987107 /nfs/dbraw/zinc/98/71/07/552987107.db2.gz JFGRRWWYMSWMCK-SSEXGKCCSA-N 1 0 572.658 4.966 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008383621 552987145 /nfs/dbraw/zinc/98/71/45/552987145.db2.gz JFGRRWWYMSWMCK-PMERELPUSA-N 1 0 572.658 4.966 50 30 KJEARO N#Cc1ccccc1Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CC[NH+](Cc4ccccc4)CC3)cc2)c1=O ZINC000008593339 553085336 /nfs/dbraw/zinc/08/53/36/553085336.db2.gz GLJIJOOFMUBRGR-UHFFFAOYSA-N 1 0 583.692 4.526 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000008739158 553131392 /nfs/dbraw/zinc/13/13/92/553131392.db2.gz MZRVHLINDADTSP-MHZLTWQESA-N 1 0 500.595 4.810 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000008739159 553131287 /nfs/dbraw/zinc/13/12/87/553131287.db2.gz MZRVHLINDADTSP-HHHXNRCGSA-N 1 0 500.595 4.810 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000008740631 553132104 /nfs/dbraw/zinc/13/21/04/553132104.db2.gz HSSYJKAULNOMPL-SANMLTNESA-N 1 0 510.631 4.577 50 30 biogenic KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000008740632 553132432 /nfs/dbraw/zinc/13/24/32/553132432.db2.gz HSSYJKAULNOMPL-AREMUKBSSA-N 1 0 510.631 4.577 50 30 biogenic KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000008744115 553133941 /nfs/dbraw/zinc/13/39/41/553133941.db2.gz LJGZNNGCQQIKJD-SANMLTNESA-N 1 0 515.566 4.622 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000008744116 553134011 /nfs/dbraw/zinc/13/40/11/553134011.db2.gz LJGZNNGCQQIKJD-AREMUKBSSA-N 1 0 515.566 4.622 50 30 KJEARO CC1(C)Cc2c(C#N)c(NC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)sc2C(C)(C)[NH2+]1 ZINC000008817599 553152894 /nfs/dbraw/zinc/15/28/94/553152894.db2.gz XAUQSGTVYKNGER-QFIPXVFZSA-N 1 0 512.635 4.625 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000008836246 553162836 /nfs/dbraw/zinc/16/28/36/553162836.db2.gz XJRSGFQOOLEFHL-QFIPXVFZSA-N 1 0 501.421 4.685 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000008836247 553162886 /nfs/dbraw/zinc/16/28/86/553162886.db2.gz XJRSGFQOOLEFHL-JOCHJYFZSA-N 1 0 501.421 4.685 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cc(OC)ccc1OC ZINC000008837615 553164087 /nfs/dbraw/zinc/16/40/87/553164087.db2.gz DSBDLTOOXRDIEY-CJJGVWJISA-N 1 0 510.631 4.645 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cc(OC)ccc1OC ZINC000008837616 553164031 /nfs/dbraw/zinc/16/40/31/553164031.db2.gz DSBDLTOOXRDIEY-CZNAVJSXSA-N 1 0 510.631 4.645 50 30 KJEARO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008838062 553164635 /nfs/dbraw/zinc/16/46/35/553164635.db2.gz UUEQYOSOPCPVRA-DEOSSOPVSA-N 1 0 509.647 4.636 50 30 KJEARO CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008838063 553164798 /nfs/dbraw/zinc/16/47/98/553164798.db2.gz UUEQYOSOPCPVRA-XMMPIXPASA-N 1 0 509.647 4.636 50 30 KJEARO CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000008881728 553175909 /nfs/dbraw/zinc/17/59/09/553175909.db2.gz MOHKOXCQTMRLBC-UHFFFAOYSA-N 1 0 514.717 4.985 50 30 KJEARO CC1(C)Cc2c(C#N)c(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2C(C)(C)[NH2+]1 ZINC000008881822 553176132 /nfs/dbraw/zinc/17/61/32/553176132.db2.gz DIHGTRNGAMHACC-UHFFFAOYSA-N 1 0 500.690 4.596 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000008905157 553183753 /nfs/dbraw/zinc/18/37/53/553183753.db2.gz AGDBAIHGHXBOLT-UUALVTFQSA-N 1 0 518.610 4.809 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000008905159 553183725 /nfs/dbraw/zinc/18/37/25/553183725.db2.gz AGDBAIHGHXBOLT-ONQGDUAMSA-N 1 0 518.610 4.809 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000008914741 553186108 /nfs/dbraw/zinc/18/61/08/553186108.db2.gz VZXZLYLCAGTGPV-NDEPHWFRSA-N 1 0 513.638 4.780 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000008914742 553186076 /nfs/dbraw/zinc/18/60/76/553186076.db2.gz VZXZLYLCAGTGPV-MUUNZHRXSA-N 1 0 513.638 4.780 50 30 KJEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Br)c2)cc1 ZINC000008914782 553186058 /nfs/dbraw/zinc/18/60/58/553186058.db2.gz DEIOJQYMQPHART-QFIPXVFZSA-N 1 0 501.421 4.766 50 30 KJEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008914783 553186096 /nfs/dbraw/zinc/18/60/96/553186096.db2.gz DEIOJQYMQPHART-JOCHJYFZSA-N 1 0 501.421 4.766 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000008915040 553186022 /nfs/dbraw/zinc/18/60/22/553186022.db2.gz LVEPGGMUCNDIDS-NDEPHWFRSA-N 1 0 530.621 4.818 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000008915041 553186069 /nfs/dbraw/zinc/18/60/69/553186069.db2.gz LVEPGGMUCNDIDS-MUUNZHRXSA-N 1 0 530.621 4.818 50 30 KJEARO COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008915075 553186044 /nfs/dbraw/zinc/18/60/44/553186044.db2.gz OHKUJDJRZMYAHA-MHZLTWQESA-N 1 0 528.605 4.501 50 30 KJEARO COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000008915076 553186081 /nfs/dbraw/zinc/18/60/81/553186081.db2.gz OHKUJDJRZMYAHA-HHHXNRCGSA-N 1 0 528.605 4.501 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000008919946 553188921 /nfs/dbraw/zinc/18/89/21/553188921.db2.gz OZHSMQGADAWBLO-FQEVSTJZSA-N 1 0 507.812 4.641 50 30 KJEARO CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008921132 553189450 /nfs/dbraw/zinc/18/94/50/553189450.db2.gz YKLZZARUHARGLW-HOGKFDNTSA-N 1 0 501.421 4.610 50 30 KJEARO CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000008921136 553189496 /nfs/dbraw/zinc/18/94/96/553189496.db2.gz YKLZZARUHARGLW-MOBKVPTQSA-N 1 0 501.421 4.610 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000008921382 553189742 /nfs/dbraw/zinc/18/97/42/553189742.db2.gz GSVLWLZJQGGJEB-SANMLTNESA-N 1 0 515.566 4.622 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000008921387 553189656 /nfs/dbraw/zinc/18/96/56/553189656.db2.gz GSVLWLZJQGGJEB-AREMUKBSSA-N 1 0 515.566 4.622 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(Br)cc1 ZINC000008922615 553190174 /nfs/dbraw/zinc/19/01/74/553190174.db2.gz GNWVMMMETYPIPQ-WOOAAIBNSA-N 1 0 506.466 4.676 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(Br)c1 ZINC000008922751 553190315 /nfs/dbraw/zinc/19/03/15/553190315.db2.gz TWCRTXBREIAGOK-LFVOPCPISA-N 1 0 506.466 4.676 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(Br)c1 ZINC000008922754 553190320 /nfs/dbraw/zinc/19/03/20/553190320.db2.gz TWCRTXBREIAGOK-WOOAAIBNSA-N 1 0 506.466 4.676 50 30 KJEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OCCOc3ccccc3C)cc2)cc1 ZINC000008982786 553196023 /nfs/dbraw/zinc/19/60/23/553196023.db2.gz YEYBUERBYOVHDE-NDEPHWFRSA-N 1 0 514.622 4.901 50 30 KJEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OCCOc3ccccc3C)cc2)cc1 ZINC000008982792 553195987 /nfs/dbraw/zinc/19/59/87/553195987.db2.gz YEYBUERBYOVHDE-MUUNZHRXSA-N 1 0 514.622 4.901 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000008982888 553195995 /nfs/dbraw/zinc/19/59/95/553195995.db2.gz OZHSMQGADAWBLO-HXUWFJFHSA-N 1 0 507.812 4.641 50 30 KJEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008983271 553196016 /nfs/dbraw/zinc/19/60/16/553196016.db2.gz VHLQULGGPZFWLO-NRFANRHFSA-N 1 0 501.414 4.788 50 30 KJEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008983293 553196060 /nfs/dbraw/zinc/19/60/60/553196060.db2.gz VHLQULGGPZFWLO-OAQYLSRUSA-N 1 0 501.414 4.788 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(Br)cc1 ZINC000008987320 553196635 /nfs/dbraw/zinc/19/66/35/553196635.db2.gz GNWVMMMETYPIPQ-LFVOPCPISA-N 1 0 506.466 4.676 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008987853 553196839 /nfs/dbraw/zinc/19/68/39/553196839.db2.gz UFUZHUKFOFYOTA-HOGKFDNTSA-N 1 0 501.421 4.611 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2cccc(Br)c2)cc1 ZINC000008987861 553196835 /nfs/dbraw/zinc/19/68/35/553196835.db2.gz UFUZHUKFOFYOTA-MOBKVPTQSA-N 1 0 501.421 4.611 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000009007517 553198097 /nfs/dbraw/zinc/19/80/97/553198097.db2.gz VXQFZQUKETUDLJ-CJJGVWJISA-N 1 0 510.631 4.646 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000009007518 553198068 /nfs/dbraw/zinc/19/80/68/553198068.db2.gz VXQFZQUKETUDLJ-CZNAVJSXSA-N 1 0 510.631 4.646 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009007799 553198283 /nfs/dbraw/zinc/19/82/83/553198283.db2.gz ZJNYFANZENZKOW-SBXHHDGASA-N 1 0 501.023 4.901 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009007800 553198359 /nfs/dbraw/zinc/19/83/59/553198359.db2.gz ZJNYFANZENZKOW-NXLSWJSLSA-N 1 0 501.023 4.901 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1cccc(Br)c1 ZINC000009007851 553198376 /nfs/dbraw/zinc/19/83/76/553198376.db2.gz RYXBTPZDMJWJHL-COUQNMRISA-N 1 0 525.447 4.559 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1cccc(Br)c1 ZINC000009007852 553198371 /nfs/dbraw/zinc/19/83/71/553198371.db2.gz RYXBTPZDMJWJHL-BUANBSPESA-N 1 0 525.447 4.559 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000009007970 553198516 /nfs/dbraw/zinc/19/85/16/553198516.db2.gz HOFWKDUUDZZDJQ-TXTDGAROSA-N 1 0 514.622 4.826 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Br)c1 ZINC000009040981 553202068 /nfs/dbraw/zinc/20/20/68/553202068.db2.gz RMWJDLKWZAZLKL-HOGKFDNTSA-N 1 0 501.421 4.611 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Br)c1 ZINC000009040983 553202103 /nfs/dbraw/zinc/20/21/03/553202103.db2.gz RMWJDLKWZAZLKL-MOBKVPTQSA-N 1 0 501.421 4.611 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Br)cc1 ZINC000009041020 553202259 /nfs/dbraw/zinc/20/22/59/553202259.db2.gz SMYVOZLWIMYBLL-MOBKVPTQSA-N 1 0 501.421 4.611 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000009041927 553202381 /nfs/dbraw/zinc/20/23/81/553202381.db2.gz AIHJDTSFCRHYPS-SANMLTNESA-N 1 0 510.631 4.721 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000009041930 553202515 /nfs/dbraw/zinc/20/25/15/553202515.db2.gz AIHJDTSFCRHYPS-AREMUKBSSA-N 1 0 510.631 4.721 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000009042633 553202657 /nfs/dbraw/zinc/20/26/57/553202657.db2.gz UKEJACSQEDNFMZ-CZNAVJSXSA-N 1 0 510.631 4.646 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000009042890 553202619 /nfs/dbraw/zinc/20/26/19/553202619.db2.gz TYYVIVLNGKYMPF-NPJIAGGLSA-N 1 0 531.049 4.910 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000009042891 553202623 /nfs/dbraw/zinc/20/26/23/553202623.db2.gz TYYVIVLNGKYMPF-IUKMQXEJSA-N 1 0 531.049 4.910 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2cc(OC)ccc2OC)cc1Cl ZINC000009044262 553203075 /nfs/dbraw/zinc/20/30/75/553203075.db2.gz PIVQMPAXWJMJBJ-NPJIAGGLSA-N 1 0 531.049 4.910 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@H]2c2cc(OC)ccc2OC)cc1Cl ZINC000009044268 553203097 /nfs/dbraw/zinc/20/30/97/553203097.db2.gz PIVQMPAXWJMJBJ-IUKMQXEJSA-N 1 0 531.049 4.910 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000009046726 553204323 /nfs/dbraw/zinc/20/43/23/553204323.db2.gz YFFCFAQYJQRHRE-KQAPWQHSSA-N 1 0 523.674 4.869 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000009046727 553204308 /nfs/dbraw/zinc/20/43/08/553204308.db2.gz YFFCFAQYJQRHRE-QKJBWNOYSA-N 1 0 523.674 4.869 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2ccccc2OC)cc1Cl ZINC000009046791 553204262 /nfs/dbraw/zinc/20/42/62/553204262.db2.gz QUUZNWSHKLJJFY-SBXHHDGASA-N 1 0 501.023 4.901 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@H]2c2ccccc2OC)cc1Cl ZINC000009046792 553204214 /nfs/dbraw/zinc/20/42/14/553204214.db2.gz QUUZNWSHKLJJFY-NXLSWJSLSA-N 1 0 501.023 4.901 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000009046897 553204374 /nfs/dbraw/zinc/20/43/74/553204374.db2.gz OXGIOIDTEXNCEE-CZNAVJSXSA-N 1 0 510.631 4.646 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000009065272 553205894 /nfs/dbraw/zinc/20/58/94/553205894.db2.gz SNKOUPBOEIENBV-SBXHHDGASA-N 1 0 529.033 4.679 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009065847 553206192 /nfs/dbraw/zinc/20/61/92/553206192.db2.gz UWCOJFPVAHVQLW-AREMUKBSSA-N 1 0 515.566 4.622 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000009066348 553206200 /nfs/dbraw/zinc/20/62/00/553206200.db2.gz HOFWKDUUDZZDJQ-DFXXOVSGSA-N 1 0 514.622 4.826 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000009068021 553206677 /nfs/dbraw/zinc/20/66/77/553206677.db2.gz DZEMVHFGOZSEAI-CZNAVJSXSA-N 1 0 510.631 4.645 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@H]2c2cccc(OC)c2)cc1Cl ZINC000009068899 553206792 /nfs/dbraw/zinc/20/67/92/553206792.db2.gz XMKDQMKVRSELRN-NXLSWJSLSA-N 1 0 501.023 4.901 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000009070098 553206840 /nfs/dbraw/zinc/20/68/40/553206840.db2.gz KZAGMWUKDZPRJX-FQEVSTJZSA-N 1 0 507.812 4.641 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000009070127 553206825 /nfs/dbraw/zinc/20/68/25/553206825.db2.gz BRUOFYAMBASKSO-CJJGVWJISA-N 1 0 510.631 4.646 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000009070133 553206805 /nfs/dbraw/zinc/20/68/05/553206805.db2.gz BRUOFYAMBASKSO-CZNAVJSXSA-N 1 0 510.631 4.646 50 30 KJEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(Br)c3)oc21 ZINC000009070729 553207058 /nfs/dbraw/zinc/20/70/58/553207058.db2.gz IKFFWWXKTRYUMG-JBCNATCCSA-N 1 0 513.388 4.577 50 30 KJEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(Br)c3)oc21 ZINC000009070736 553207125 /nfs/dbraw/zinc/20/71/25/553207125.db2.gz IKFFWWXKTRYUMG-MRJHHRETSA-N 1 0 513.388 4.577 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000009073696 553207302 /nfs/dbraw/zinc/20/73/02/553207302.db2.gz GXZRKFRPTRBGNX-SBXHHDGASA-N 1 0 501.023 4.901 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000009073699 553207349 /nfs/dbraw/zinc/20/73/49/553207349.db2.gz GXZRKFRPTRBGNX-NXLSWJSLSA-N 1 0 501.023 4.901 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Br)cc1 ZINC000009073747 553207344 /nfs/dbraw/zinc/20/73/44/553207344.db2.gz SMYVOZLWIMYBLL-HOGKFDNTSA-N 1 0 501.421 4.611 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000009123146 553212264 /nfs/dbraw/zinc/21/22/64/553212264.db2.gz UKEJACSQEDNFMZ-CJJGVWJISA-N 1 0 510.631 4.646 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(Br)c1 ZINC000009173446 553215884 /nfs/dbraw/zinc/21/58/84/553215884.db2.gz IKXMVSOSXLNNDB-HOGKFDNTSA-N 1 0 501.421 4.611 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(Br)c1 ZINC000009173471 553215908 /nfs/dbraw/zinc/21/59/08/553215908.db2.gz IKXMVSOSXLNNDB-MOBKVPTQSA-N 1 0 501.421 4.611 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000009174632 553216135 /nfs/dbraw/zinc/21/61/35/553216135.db2.gz KGXLBRHBAKYIPW-QHCPKHFHSA-N 1 0 515.448 4.932 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000009174650 553216094 /nfs/dbraw/zinc/21/60/94/553216094.db2.gz KGXLBRHBAKYIPW-HSZRJFAPSA-N 1 0 515.448 4.932 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009176518 553216348 /nfs/dbraw/zinc/21/63/48/553216348.db2.gz UVQVJNSMTUQTTK-SANMLTNESA-N 1 0 515.566 4.622 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009176529 553216281 /nfs/dbraw/zinc/21/62/81/553216281.db2.gz UVQVJNSMTUQTTK-AREMUKBSSA-N 1 0 515.566 4.622 50 30 KJEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccc(Br)cc3)oc21 ZINC000009177557 553216393 /nfs/dbraw/zinc/21/63/93/553216393.db2.gz SGUZQOJWQDGNGC-JBCNATCCSA-N 1 0 513.388 4.577 50 30 KJEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(Br)cc3)oc21 ZINC000009177559 553216409 /nfs/dbraw/zinc/21/64/09/553216409.db2.gz SGUZQOJWQDGNGC-MRJHHRETSA-N 1 0 513.388 4.577 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000009177920 553216586 /nfs/dbraw/zinc/21/65/86/553216586.db2.gz OXGIOIDTEXNCEE-CJJGVWJISA-N 1 0 510.631 4.646 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000009178598 553216594 /nfs/dbraw/zinc/21/65/94/553216594.db2.gz SNIVZFXHUVAIEP-SANMLTNESA-N 1 0 515.566 4.622 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000009178605 553216579 /nfs/dbraw/zinc/21/65/79/553216579.db2.gz SNIVZFXHUVAIEP-AREMUKBSSA-N 1 0 515.566 4.622 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000009178788 553216634 /nfs/dbraw/zinc/21/66/34/553216634.db2.gz SNKOUPBOEIENBV-NXLSWJSLSA-N 1 0 529.033 4.679 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000009234862 553225234 /nfs/dbraw/zinc/22/52/34/553225234.db2.gz BKEWSUPUMHSDOV-CJJGVWJISA-N 1 0 510.631 4.646 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000009234864 553225213 /nfs/dbraw/zinc/22/52/13/553225213.db2.gz BKEWSUPUMHSDOV-CZNAVJSXSA-N 1 0 510.631 4.646 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cc(OC)ccc1OC ZINC000009236657 553225870 /nfs/dbraw/zinc/22/58/70/553225870.db2.gz CDVLWVNABWNPIT-SBXHHDGASA-N 1 0 517.022 4.519 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cc(OC)ccc1OC ZINC000009236663 553225886 /nfs/dbraw/zinc/22/58/86/553225886.db2.gz CDVLWVNABWNPIT-NXLSWJSLSA-N 1 0 517.022 4.519 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009236852 553225874 /nfs/dbraw/zinc/22/58/74/553225874.db2.gz MARFRNKYEKBIMI-MUUNZHRXSA-N 1 0 530.621 4.731 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009239944 553226154 /nfs/dbraw/zinc/22/61/54/553226154.db2.gz UWCOJFPVAHVQLW-SANMLTNESA-N 1 0 515.566 4.622 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000009240550 553226122 /nfs/dbraw/zinc/22/61/22/553226122.db2.gz DZEMVHFGOZSEAI-CJJGVWJISA-N 1 0 510.631 4.645 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2cccc(OC)c2)cc1Cl ZINC000009240805 553226367 /nfs/dbraw/zinc/22/63/67/553226367.db2.gz XMKDQMKVRSELRN-SBXHHDGASA-N 1 0 501.023 4.901 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000009241069 553226227 /nfs/dbraw/zinc/22/62/27/553226227.db2.gz KZAGMWUKDZPRJX-HXUWFJFHSA-N 1 0 507.812 4.641 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000009241082 553226348 /nfs/dbraw/zinc/22/63/48/553226348.db2.gz OEACOZNHBPKYKG-SBXHHDGASA-N 1 0 517.022 4.519 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000009241084 553226315 /nfs/dbraw/zinc/22/63/15/553226315.db2.gz OEACOZNHBPKYKG-NXLSWJSLSA-N 1 0 517.022 4.519 50 30 KJEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OCCOc3ccccc3C)cc2)o1 ZINC000009241124 553226377 /nfs/dbraw/zinc/22/63/77/553226377.db2.gz ZWHHMYQAYGVYQP-UUALVTFQSA-N 1 0 518.610 4.728 50 30 KJEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OCCOc3ccccc3C)cc2)o1 ZINC000009241127 553226275 /nfs/dbraw/zinc/22/62/75/553226275.db2.gz ZWHHMYQAYGVYQP-ONQGDUAMSA-N 1 0 518.610 4.728 50 30 KJEARO COc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000009271565 553230991 /nfs/dbraw/zinc/23/09/91/553230991.db2.gz NNGQFFMSHAGOOF-VWLOTQADSA-N 1 0 510.631 4.577 50 30 KJEARO COc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)c1OC ZINC000009271566 553231067 /nfs/dbraw/zinc/23/10/67/553231067.db2.gz NNGQFFMSHAGOOF-RUZDIDTESA-N 1 0 510.631 4.577 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000009273850 553232148 /nfs/dbraw/zinc/23/21/48/553232148.db2.gz CGZVLXAGFNDFEJ-QHCPKHFHSA-N 1 0 515.448 4.932 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000009273854 553232161 /nfs/dbraw/zinc/23/21/61/553232161.db2.gz CGZVLXAGFNDFEJ-HSZRJFAPSA-N 1 0 515.448 4.932 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009275503 553232861 /nfs/dbraw/zinc/23/28/61/553232861.db2.gz MARFRNKYEKBIMI-NDEPHWFRSA-N 1 0 530.621 4.731 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C(C)C)cc1 ZINC000009301989 553236160 /nfs/dbraw/zinc/23/61/60/553236160.db2.gz JPNACNSONQMFGC-KQAPWQHSSA-N 1 0 509.647 4.695 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000009301990 553236228 /nfs/dbraw/zinc/23/62/28/553236228.db2.gz JPNACNSONQMFGC-QKJBWNOYSA-N 1 0 509.647 4.695 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1ccc(Br)cc1 ZINC000009311978 553239915 /nfs/dbraw/zinc/23/99/15/553239915.db2.gz DGPNYCBECXATES-VAGBDARLSA-N 1 0 527.459 4.926 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(Br)cc1 ZINC000009311979 553239807 /nfs/dbraw/zinc/23/98/07/553239807.db2.gz DGPNYCBECXATES-IYGWJSLMSA-N 1 0 527.459 4.926 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009311991 553239835 /nfs/dbraw/zinc/23/98/35/553239835.db2.gz YQCJYGWANILUKR-KXDYMIPJSA-N 1 0 522.642 4.571 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009311992 553239900 /nfs/dbraw/zinc/23/99/00/553239900.db2.gz YQCJYGWANILUKR-ZLYDLHQSSA-N 1 0 522.642 4.571 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009311993 553239932 /nfs/dbraw/zinc/23/99/32/553239932.db2.gz YQCJYGWANILUKR-NGAXIMOQSA-N 1 0 522.642 4.571 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009311994 553239846 /nfs/dbraw/zinc/23/98/46/553239846.db2.gz YQCJYGWANILUKR-JLPDLQRYSA-N 1 0 522.642 4.571 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(O)cc1 ZINC000009312001 553239958 /nfs/dbraw/zinc/23/99/58/553239958.db2.gz IJXFVKSBCORHIW-HHHXNRCGSA-N 1 0 500.595 4.810 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000009312131 553240080 /nfs/dbraw/zinc/24/00/80/553240080.db2.gz YIWBRZOLMDFLNX-MUUNZHRXSA-N 1 0 530.621 4.818 50 30 KJEARO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009312151 553240106 /nfs/dbraw/zinc/24/01/06/553240106.db2.gz QGXIUNUBNVOAKS-HHHXNRCGSA-N 1 0 500.595 4.810 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009312233 553240086 /nfs/dbraw/zinc/24/00/86/553240086.db2.gz NMUXDOHEDRGMGR-YREDKMEYSA-N 1 0 534.653 4.737 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009312234 553240099 /nfs/dbraw/zinc/24/00/99/553240099.db2.gz NMUXDOHEDRGMGR-YFVVEFNMSA-N 1 0 534.653 4.737 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009312235 553240089 /nfs/dbraw/zinc/24/00/89/553240089.db2.gz NMUXDOHEDRGMGR-FGEDTZIGSA-N 1 0 534.653 4.737 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009312236 553240092 /nfs/dbraw/zinc/24/00/92/553240092.db2.gz NMUXDOHEDRGMGR-LODGOHBISA-N 1 0 534.653 4.737 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009312261 553240295 /nfs/dbraw/zinc/24/02/95/553240295.db2.gz LWKJMOFLZXLZHX-VDLDRNGKSA-N 1 0 504.627 4.728 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009312262 553240293 /nfs/dbraw/zinc/24/02/93/553240293.db2.gz LWKJMOFLZXLZHX-PMABHTPKSA-N 1 0 504.627 4.728 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009312263 553240398 /nfs/dbraw/zinc/24/03/98/553240398.db2.gz LWKJMOFLZXLZHX-MNEKTFPPSA-N 1 0 504.627 4.728 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009312264 553240298 /nfs/dbraw/zinc/24/02/98/553240298.db2.gz LWKJMOFLZXLZHX-HGZLRSGXSA-N 1 0 504.627 4.728 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000009312277 553240385 /nfs/dbraw/zinc/24/03/85/553240385.db2.gz YUNMIZLYAHYEPY-TXTDGAROSA-N 1 0 530.621 4.662 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009312381 553240252 /nfs/dbraw/zinc/24/02/52/553240252.db2.gz YINXQVOXWRJZKR-NDEPHWFRSA-N 1 0 530.621 4.731 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009312382 553240260 /nfs/dbraw/zinc/24/02/60/553240260.db2.gz YINXQVOXWRJZKR-MUUNZHRXSA-N 1 0 530.621 4.731 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000009312383 553240269 /nfs/dbraw/zinc/24/02/69/553240269.db2.gz BQMBSMLQQUTQSW-MHZLTWQESA-N 1 0 500.595 4.810 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009312405 553240370 /nfs/dbraw/zinc/24/03/70/553240370.db2.gz XIJXJIQBNYPZFR-YREDKMEYSA-N 1 0 536.669 4.961 50 30 KJEARO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000009312414 553240322 /nfs/dbraw/zinc/24/03/22/553240322.db2.gz PWWDXOKKJHDOQK-VDLDRNGKSA-N 1 0 506.643 4.952 50 30 KJEARO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000009312415 553240304 /nfs/dbraw/zinc/24/03/04/553240304.db2.gz PWWDXOKKJHDOQK-PMABHTPKSA-N 1 0 506.643 4.952 50 30 KJEARO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000009312416 553240243 /nfs/dbraw/zinc/24/02/43/553240243.db2.gz PWWDXOKKJHDOQK-HGZLRSGXSA-N 1 0 506.643 4.952 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000009312758 553240486 /nfs/dbraw/zinc/24/04/86/553240486.db2.gz WQOIPSUXLOWSJR-CJJGVWJISA-N 1 0 510.631 4.508 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(O)c(OC)c1 ZINC000009312759 553240510 /nfs/dbraw/zinc/24/05/10/553240510.db2.gz WQOIPSUXLOWSJR-CZNAVJSXSA-N 1 0 510.631 4.508 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000009312959 553240749 /nfs/dbraw/zinc/24/07/49/553240749.db2.gz PHOZGHPFRZUXNC-CJJGVWJISA-N 1 0 510.631 4.508 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000009312960 553240757 /nfs/dbraw/zinc/24/07/57/553240757.db2.gz PHOZGHPFRZUXNC-CZNAVJSXSA-N 1 0 510.631 4.508 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(Br)cc1 ZINC000009312964 553240748 /nfs/dbraw/zinc/24/07/48/553240748.db2.gz DGPNYCBECXATES-GOBYDPEUSA-N 1 0 527.459 4.926 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1ccc(Br)cc1 ZINC000009312965 553240762 /nfs/dbraw/zinc/24/07/62/553240762.db2.gz DGPNYCBECXATES-WZLGSTDNSA-N 1 0 527.459 4.926 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000009312969 553240751 /nfs/dbraw/zinc/24/07/51/553240751.db2.gz QYXZLZXJRPQEJK-NDEPHWFRSA-N 1 0 530.621 4.818 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000009312970 553240691 /nfs/dbraw/zinc/24/06/91/553240691.db2.gz QYXZLZXJRPQEJK-MUUNZHRXSA-N 1 0 530.621 4.818 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(O)cc1 ZINC000009312977 553240744 /nfs/dbraw/zinc/24/07/44/553240744.db2.gz IJXFVKSBCORHIW-MHZLTWQESA-N 1 0 500.595 4.810 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000009313033 553240942 /nfs/dbraw/zinc/24/09/42/553240942.db2.gz YIWBRZOLMDFLNX-NDEPHWFRSA-N 1 0 530.621 4.818 50 30 KJEARO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000009313037 553240964 /nfs/dbraw/zinc/24/09/64/553240964.db2.gz QGXIUNUBNVOAKS-MHZLTWQESA-N 1 0 500.595 4.810 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000009313112 553240927 /nfs/dbraw/zinc/24/09/27/553240927.db2.gz BQMBSMLQQUTQSW-HHHXNRCGSA-N 1 0 500.595 4.810 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009313115 553240910 /nfs/dbraw/zinc/24/09/10/553240910.db2.gz XIJXJIQBNYPZFR-YFVVEFNMSA-N 1 0 536.669 4.961 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009313116 553241026 /nfs/dbraw/zinc/24/10/26/553241026.db2.gz XIJXJIQBNYPZFR-FGEDTZIGSA-N 1 0 536.669 4.961 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000009313117 553241011 /nfs/dbraw/zinc/24/10/11/553241011.db2.gz XIJXJIQBNYPZFR-LODGOHBISA-N 1 0 536.669 4.961 50 30 KJEARO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000009313122 553241006 /nfs/dbraw/zinc/24/10/06/553241006.db2.gz PWWDXOKKJHDOQK-MNEKTFPPSA-N 1 0 506.643 4.952 50 30 KJEARO COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000009329340 553242222 /nfs/dbraw/zinc/24/22/22/553242222.db2.gz AGEIRHXDLDIBDI-MHZLTWQESA-N 1 0 500.595 4.723 50 30 KJEARO COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000009329341 553242260 /nfs/dbraw/zinc/24/22/60/553242260.db2.gz AGEIRHXDLDIBDI-HHHXNRCGSA-N 1 0 500.595 4.723 50 30 KJEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Br)c2)cc1F ZINC000009330048 553242401 /nfs/dbraw/zinc/24/24/01/553242401.db2.gz SSCUMPOQHGLDDQ-QFIPXVFZSA-N 1 0 519.411 4.905 50 30 KJEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Br)c2)cc1F ZINC000009330049 553242405 /nfs/dbraw/zinc/24/24/05/553242405.db2.gz SSCUMPOQHGLDDQ-JOCHJYFZSA-N 1 0 519.411 4.905 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000009333753 553242856 /nfs/dbraw/zinc/24/28/56/553242856.db2.gz RJDQWDVGUQZGQS-CZNAVJSXSA-N 1 0 520.651 4.888 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009333903 553242892 /nfs/dbraw/zinc/24/28/92/553242892.db2.gz RRRJILMQNBWKMN-ZHHPLPSFSA-N 1 0 513.432 4.777 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000009333904 553242835 /nfs/dbraw/zinc/24/28/35/553242835.db2.gz RRRJILMQNBWKMN-AYWGPLOBSA-N 1 0 513.432 4.777 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000009339601 553243712 /nfs/dbraw/zinc/24/37/12/553243712.db2.gz RJDQWDVGUQZGQS-CJJGVWJISA-N 1 0 520.651 4.888 50 30 KJEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009349699 553244932 /nfs/dbraw/zinc/24/49/32/553244932.db2.gz FPLFMSATHDYTJV-QFIPXVFZSA-N 1 0 501.421 4.624 50 30 KJEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009349700 553244940 /nfs/dbraw/zinc/24/49/40/553244940.db2.gz FPLFMSATHDYTJV-JOCHJYFZSA-N 1 0 501.421 4.624 50 30 KJEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Br)c2)cc1 ZINC000009349821 553245041 /nfs/dbraw/zinc/24/50/41/553245041.db2.gz LUQCECIESFNFFV-QFIPXVFZSA-N 1 0 501.421 4.624 50 30 KJEARO CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Br)c2)cc1 ZINC000009349823 553245015 /nfs/dbraw/zinc/24/50/15/553245015.db2.gz LUQCECIESFNFFV-JOCHJYFZSA-N 1 0 501.421 4.624 50 30 KJEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009350414 553244995 /nfs/dbraw/zinc/24/49/95/553244995.db2.gz RUNQFWVLGIZWNQ-QFIPXVFZSA-N 1 0 501.421 4.766 50 30 KJEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009350416 553245009 /nfs/dbraw/zinc/24/50/09/553245009.db2.gz RUNQFWVLGIZWNQ-JOCHJYFZSA-N 1 0 501.421 4.766 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009350961 553245341 /nfs/dbraw/zinc/24/53/41/553245341.db2.gz CPLMIRIKYYERRL-NDEPHWFRSA-N 1 0 530.621 4.731 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000009350963 553245313 /nfs/dbraw/zinc/24/53/13/553245313.db2.gz CPLMIRIKYYERRL-MUUNZHRXSA-N 1 0 530.621 4.731 50 30 KJEARO COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009353084 553245336 /nfs/dbraw/zinc/24/53/36/553245336.db2.gz DRXLMBRZJPJBDU-MHZLTWQESA-N 1 0 528.605 4.501 50 30 KJEARO COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009353085 553245350 /nfs/dbraw/zinc/24/53/50/553245350.db2.gz DRXLMBRZJPJBDU-HHHXNRCGSA-N 1 0 528.605 4.501 50 30 KJEARO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(O)c2)cc1 ZINC000009353286 553245316 /nfs/dbraw/zinc/24/53/16/553245316.db2.gz UKPJDMNFHFQHLK-MHZLTWQESA-N 1 0 500.595 4.810 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009353525 553245621 /nfs/dbraw/zinc/24/56/21/553245621.db2.gz GMOJJHZDPGEBCW-AREMUKBSSA-N 1 0 510.631 4.808 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009353574 553245603 /nfs/dbraw/zinc/24/56/03/553245603.db2.gz GOVPVUJJFGDRIJ-PMABHTPKSA-N 1 0 506.643 4.952 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009353577 553245517 /nfs/dbraw/zinc/24/55/17/553245517.db2.gz GOVPVUJJFGDRIJ-HGZLRSGXSA-N 1 0 506.643 4.952 50 30 KJEARO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009353906 553245594 /nfs/dbraw/zinc/24/55/94/553245594.db2.gz AVJBLJARHVPBJE-HRFSGMKKSA-N 1 0 506.643 4.965 50 30 KJEARO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009353907 553245629 /nfs/dbraw/zinc/24/56/29/553245629.db2.gz AVJBLJARHVPBJE-CCLHPLFOSA-N 1 0 506.643 4.965 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000009354006 553245709 /nfs/dbraw/zinc/24/57/09/553245709.db2.gz BSXDEKSLXOIOQW-NDEPHWFRSA-N 1 0 530.621 4.818 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000009354008 553245757 /nfs/dbraw/zinc/24/57/57/553245757.db2.gz BSXDEKSLXOIOQW-MUUNZHRXSA-N 1 0 530.621 4.818 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000009354280 553245748 /nfs/dbraw/zinc/24/57/48/553245748.db2.gz ZZCAHQYLLIGDER-SANMLTNESA-N 1 0 510.631 4.808 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000009354284 553245716 /nfs/dbraw/zinc/24/57/16/553245716.db2.gz ZZCAHQYLLIGDER-AREMUKBSSA-N 1 0 510.631 4.808 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CC[NH+](CC)CC)ccc1O ZINC000009354297 553246004 /nfs/dbraw/zinc/24/60/04/553246004.db2.gz UPBKYVGUQLPVBQ-UUALVTFQSA-N 1 0 524.658 4.898 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000009357117 553246661 /nfs/dbraw/zinc/24/66/61/553246661.db2.gz AELAMUPXMNITAQ-ONQGDUAMSA-N 1 0 500.595 4.735 50 30 KJEARO COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1CCC[NH+](C)C ZINC000009358658 553247601 /nfs/dbraw/zinc/24/76/01/553247601.db2.gz AQHHHKHEKZJSTN-UUALVTFQSA-N 1 0 500.595 4.648 50 30 KJEARO COc1ccccc1[C@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1CCC[NH+](C)C ZINC000009358661 553247694 /nfs/dbraw/zinc/24/76/94/553247694.db2.gz AQHHHKHEKZJSTN-ONQGDUAMSA-N 1 0 500.595 4.648 50 30 KJEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 ZINC000009373775 553250532 /nfs/dbraw/zinc/25/05/32/553250532.db2.gz YPOXWMKDPYHCJN-DFXXOVSGSA-N 1 0 530.621 4.575 50 30 KJEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 ZINC000009373778 553250509 /nfs/dbraw/zinc/25/05/09/553250509.db2.gz YPOXWMKDPYHCJN-TXTDGAROSA-N 1 0 530.621 4.575 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009374575 553250964 /nfs/dbraw/zinc/25/09/64/553250964.db2.gz HQRYEYVFGTZKRU-MHZLTWQESA-N 1 0 500.595 4.723 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000009374576 553250969 /nfs/dbraw/zinc/25/09/69/553250969.db2.gz HQRYEYVFGTZKRU-HHHXNRCGSA-N 1 0 500.595 4.723 50 30 KJEARO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(O)c2)cc1 ZINC000009374615 553250978 /nfs/dbraw/zinc/25/09/78/553250978.db2.gz UKPJDMNFHFQHLK-HHHXNRCGSA-N 1 0 500.595 4.810 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009374688 553250945 /nfs/dbraw/zinc/25/09/45/553250945.db2.gz GMOJJHZDPGEBCW-SANMLTNESA-N 1 0 510.631 4.808 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009374692 553250982 /nfs/dbraw/zinc/25/09/82/553250982.db2.gz GOVPVUJJFGDRIJ-VDLDRNGKSA-N 1 0 506.643 4.952 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000009374696 553250931 /nfs/dbraw/zinc/25/09/31/553250931.db2.gz GOVPVUJJFGDRIJ-MNEKTFPPSA-N 1 0 506.643 4.952 50 30 KJEARO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009375094 553251097 /nfs/dbraw/zinc/25/10/97/553251097.db2.gz AVJBLJARHVPBJE-DCFHFQCYSA-N 1 0 506.643 4.965 50 30 KJEARO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000009375095 553251150 /nfs/dbraw/zinc/25/11/50/553251150.db2.gz AVJBLJARHVPBJE-NFQMXDRXSA-N 1 0 506.643 4.965 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CC[NH+](CC)CC)ccc1O ZINC000009403384 553255390 /nfs/dbraw/zinc/25/53/90/553255390.db2.gz UPBKYVGUQLPVBQ-ONQGDUAMSA-N 1 0 524.658 4.898 50 30 KJEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009411188 553257502 /nfs/dbraw/zinc/25/75/02/553257502.db2.gz SNWWDFHTVYNKJH-NGOKVRLYSA-N 1 0 512.606 4.729 50 30 KJEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009411189 553257459 /nfs/dbraw/zinc/25/74/59/553257459.db2.gz SNWWDFHTVYNKJH-MMTVBGGISA-N 1 0 512.606 4.729 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 ZINC000009436092 553264349 /nfs/dbraw/zinc/26/43/49/553264349.db2.gz AELAMUPXMNITAQ-UUALVTFQSA-N 1 0 500.595 4.735 50 30 KJEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009437118 553264563 /nfs/dbraw/zinc/26/45/63/553264563.db2.gz SNWWDFHTVYNKJH-PIIWDFAUSA-N 1 0 512.606 4.729 50 30 KJEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009437120 553264602 /nfs/dbraw/zinc/26/46/02/553264602.db2.gz SNWWDFHTVYNKJH-WTYVLRPYSA-N 1 0 512.606 4.729 50 30 KJEARO CC[NH+]1CCN(c2ccc(/N=C/c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)cc2)CC1 ZINC000009934842 553318364 /nfs/dbraw/zinc/31/83/64/553318364.db2.gz UIKHJNNHYHREKQ-AJBULDERSA-N 1 0 533.625 4.833 50 30 KJEARO CC1(C)Cc2c(C#N)c(NC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)sc2C(C)(C)[NH2+]1 ZINC000010013873 553326166 /nfs/dbraw/zinc/32/61/66/553326166.db2.gz XAUQSGTVYKNGER-JOCHJYFZSA-N 1 0 512.635 4.625 50 30 KJEARO COc1ccc(NC(=S)C(C(=O)c2ccc(OC)c(OC)c2)[n+]2cn(CCC#N)c3ccccc32)cc1 ZINC000012565260 553396403 /nfs/dbraw/zinc/39/64/03/553396403.db2.gz MYZZXECUEPQXCJ-UHFFFAOYSA-O 1 0 515.615 4.919 50 30 KJEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@@H+]1CCC[C@@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000012883096 553425800 /nfs/dbraw/zinc/42/58/00/553425800.db2.gz LQHLZZKYYXMPRY-IZDDANQMSA-N 1 0 501.667 4.914 50 30 biogenic KJEARO C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000013009093 553432267 /nfs/dbraw/zinc/43/22/67/553432267.db2.gz BHWCFBYMANJSJX-HHHXNRCGSA-N 1 0 519.667 4.643 50 30 KJEARO C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+]2CCCC2)c1 ZINC000013009096 553432297 /nfs/dbraw/zinc/43/22/97/553432297.db2.gz BHWCFBYMANJSJX-MHZLTWQESA-N 1 0 519.667 4.643 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000013451438 553459461 /nfs/dbraw/zinc/45/94/61/553459461.db2.gz VOKJQOORQUHQEA-SANMLTNESA-N 1 0 510.631 4.577 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000013451440 553459441 /nfs/dbraw/zinc/45/94/41/553459441.db2.gz VOKJQOORQUHQEA-AREMUKBSSA-N 1 0 510.631 4.577 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(Br)c1 ZINC000013551680 553470452 /nfs/dbraw/zinc/47/04/52/553470452.db2.gz IBCGXUHDRLSXGT-QFIPXVFZSA-N 1 0 501.421 4.686 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(Br)c1 ZINC000013551683 553470435 /nfs/dbraw/zinc/47/04/35/553470435.db2.gz IBCGXUHDRLSXGT-JOCHJYFZSA-N 1 0 501.421 4.686 50 30 KJEARO CCOc1ccc(NC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013553081 553470887 /nfs/dbraw/zinc/47/08/87/553470887.db2.gz KBKVPAJBYSMFIE-VWLOTQADSA-N 1 0 506.610 4.597 50 30 KJEARO CCOc1ccc(NC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000013553083 553471164 /nfs/dbraw/zinc/47/11/64/553471164.db2.gz KBKVPAJBYSMFIE-RUZDIDTESA-N 1 0 506.610 4.597 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000013571182 553473874 /nfs/dbraw/zinc/47/38/74/553473874.db2.gz ZTJBGXSTHMEBQB-MHZLTWQESA-N 1 0 500.595 4.810 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000013571184 553473888 /nfs/dbraw/zinc/47/38/88/553473888.db2.gz ZTJBGXSTHMEBQB-HHHXNRCGSA-N 1 0 500.595 4.810 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000013595754 553477176 /nfs/dbraw/zinc/47/71/76/553477176.db2.gz LYVOFPIXXVGERF-NDEPHWFRSA-N 1 0 530.621 4.818 50 30 KJEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000013712173 553485964 /nfs/dbraw/zinc/48/59/64/553485964.db2.gz MNTIMSJTAGQDTO-FQEVSTJZSA-N 1 0 507.812 4.641 50 30 KJEARO COc1ccc(-c2csc(C3=C(N)N(CCC4CC[NH+](Cc5ccccc5)CC4)CC3=O)n2)cc1OC ZINC000013726505 553486918 /nfs/dbraw/zinc/48/69/18/553486918.db2.gz KXPPKGOLBXRICQ-UHFFFAOYSA-N 1 0 518.683 4.642 50 30 KJEARO COc1ccc(C(=O)c2c3cc(OC)c(OC)cc3cc[n+]2CC(=O)c2ccc(Cl)cc2)cc1OC ZINC000016227226 553557404 /nfs/dbraw/zinc/55/74/04/553557404.db2.gz ISYBLBDRBDRHSH-UHFFFAOYSA-N 1 0 506.962 4.929 50 30 KJEARO COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2CC(=O)c2ccc(OC)c(OC)c2)cc1OC ZINC000016227471 553557362 /nfs/dbraw/zinc/55/73/62/553557362.db2.gz IIUUSHREMCPWLG-UHFFFAOYSA-N 1 0 518.586 4.653 50 30 KJEARO COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2CC(=O)c2cccc([N+](=O)[O-])c2)cc1OC ZINC000016227473 553557357 /nfs/dbraw/zinc/55/73/57/553557357.db2.gz GMDYYSGJDUJYBZ-UHFFFAOYSA-N 1 0 503.531 4.544 50 30 KJEARO COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2CC(=O)c2ccccc2[N+](=O)[O-])cc1OC ZINC000016227476 553557392 /nfs/dbraw/zinc/55/73/92/553557392.db2.gz FOECPSCBRJTOMK-UHFFFAOYSA-N 1 0 503.531 4.544 50 30 KJEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000016701148 553574737 /nfs/dbraw/zinc/57/47/37/553574737.db2.gz HIPLGAIRJAMIFJ-AREMUKBSSA-N 1 0 510.631 4.721 50 30 KJEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000016701151 553574759 /nfs/dbraw/zinc/57/47/59/553574759.db2.gz HIPLGAIRJAMIFJ-SANMLTNESA-N 1 0 510.631 4.721 50 30 KJEARO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@@H]1c1cccc(Br)c1 ZINC000016713804 553575353 /nfs/dbraw/zinc/57/53/53/553575353.db2.gz SVEGLNWWCWXAAS-HSZRJFAPSA-N 1 0 515.448 4.932 50 30 KJEARO Cc1cc(OCC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CC[NH+](C)C)[C@H]1c1cccc(Br)c1 ZINC000016713806 553575364 /nfs/dbraw/zinc/57/53/64/553575364.db2.gz SVEGLNWWCWXAAS-QHCPKHFHSA-N 1 0 515.448 4.932 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000016730919 553576848 /nfs/dbraw/zinc/57/68/48/553576848.db2.gz GKIAPZFCQIFPRH-SANMLTNESA-N 1 0 510.631 4.803 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000016730922 553576922 /nfs/dbraw/zinc/57/69/22/553576922.db2.gz GKIAPZFCQIFPRH-AREMUKBSSA-N 1 0 510.631 4.803 50 30 KJEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(Br)cc2)cc1 ZINC000016732577 553577700 /nfs/dbraw/zinc/57/77/00/553577700.db2.gz RVRSGNHVBKFAJW-QHCPKHFHSA-N 1 0 513.432 4.934 50 30 KJEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016732580 553577689 /nfs/dbraw/zinc/57/76/89/553577689.db2.gz RVRSGNHVBKFAJW-HSZRJFAPSA-N 1 0 513.432 4.934 50 30 KJEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000016733321 553577946 /nfs/dbraw/zinc/57/79/46/553577946.db2.gz UUCCKZBSMRCMQM-JOCHJYFZSA-N 1 0 501.421 4.686 50 30 KJEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000016733324 553577915 /nfs/dbraw/zinc/57/79/15/553577915.db2.gz UUCCKZBSMRCMQM-QFIPXVFZSA-N 1 0 501.421 4.686 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000016733683 553578142 /nfs/dbraw/zinc/57/81/42/553578142.db2.gz ZHAOZXSCLSVJCH-XMMPIXPASA-N 1 0 517.022 4.676 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000016733686 553578206 /nfs/dbraw/zinc/57/82/06/553578206.db2.gz ZHAOZXSCLSVJCH-DEOSSOPVSA-N 1 0 517.022 4.676 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(O)c(OCC)c2)cc1Cl ZINC000016733695 553578150 /nfs/dbraw/zinc/57/81/50/553578150.db2.gz JXJJYZHWVGORMY-XMMPIXPASA-N 1 0 517.022 4.763 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(O)c(OCC)c2)cc1Cl ZINC000016733698 553578166 /nfs/dbraw/zinc/57/81/66/553578166.db2.gz JXJJYZHWVGORMY-DEOSSOPVSA-N 1 0 517.022 4.763 50 30 KJEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000016734870 553578633 /nfs/dbraw/zinc/57/86/33/553578633.db2.gz VKLVOQWSDYPQRU-SANMLTNESA-N 1 0 508.615 4.579 50 30 KJEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000016734873 553578724 /nfs/dbraw/zinc/57/87/24/553578724.db2.gz VKLVOQWSDYPQRU-AREMUKBSSA-N 1 0 508.615 4.579 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000016735083 553578668 /nfs/dbraw/zinc/57/86/68/553578668.db2.gz BJKSITCYFXAMIH-PPHZAIPVSA-N 1 0 522.642 4.583 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000016735086 553578736 /nfs/dbraw/zinc/57/87/36/553578736.db2.gz BJKSITCYFXAMIH-UZTOHYMASA-N 1 0 522.642 4.583 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000016735090 553578710 /nfs/dbraw/zinc/57/87/10/553578710.db2.gz BJKSITCYFXAMIH-WINIVTDRSA-N 1 0 522.642 4.583 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000016735093 553578689 /nfs/dbraw/zinc/57/86/89/553578689.db2.gz BJKSITCYFXAMIH-XHCCPWGMSA-N 1 0 522.642 4.583 50 30 KJEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000016741417 553579731 /nfs/dbraw/zinc/57/97/31/553579731.db2.gz ALZSGYKWMFUYED-MHZLTWQESA-N 1 0 514.578 4.780 50 30 KJEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000016741418 553579727 /nfs/dbraw/zinc/57/97/27/553579727.db2.gz ALZSGYKWMFUYED-HHHXNRCGSA-N 1 0 514.578 4.780 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1Cl ZINC000016741549 553579782 /nfs/dbraw/zinc/57/97/82/553579782.db2.gz MMCKYROKNZXELD-QFIPXVFZSA-N 1 0 505.398 4.685 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1Cl ZINC000016741550 553579816 /nfs/dbraw/zinc/57/98/16/553579816.db2.gz MMCKYROKNZXELD-JOCHJYFZSA-N 1 0 505.398 4.685 50 30 KJEARO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000016741557 553579708 /nfs/dbraw/zinc/57/97/08/553579708.db2.gz NDFQDBGCONPTCF-MHZLTWQESA-N 1 0 522.642 4.947 50 30 KJEARO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000016741558 553579745 /nfs/dbraw/zinc/57/97/45/553579745.db2.gz NDFQDBGCONPTCF-HHHXNRCGSA-N 1 0 522.642 4.947 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000017124446 553588386 /nfs/dbraw/zinc/58/83/86/553588386.db2.gz KTTCKVCKNBXZBH-AREMUKBSSA-N 1 0 510.631 4.721 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000017124449 553588458 /nfs/dbraw/zinc/58/84/58/553588458.db2.gz KTTCKVCKNBXZBH-SANMLTNESA-N 1 0 510.631 4.721 50 30 KJEARO CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)C(C(=S)Nc1cc(C)cc(C)c1)[n+]1ccccc1 ZINC000017577274 553598179 /nfs/dbraw/zinc/59/81/79/553598179.db2.gz JJTUTJJRZXDBSB-UHFFFAOYSA-O 1 0 539.703 4.646 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000018203812 553610170 /nfs/dbraw/zinc/61/01/70/553610170.db2.gz JKWOVSOSIODADJ-AREMUKBSSA-N 1 0 510.631 4.664 50 30 KJEARO O=C(C[n+]1nc(CNc2ccccc2I)n2c1CCCCC2)c1ccc(Cl)cc1 ZINC000019800542 553617575 /nfs/dbraw/zinc/61/75/75/553617575.db2.gz XJEDBJZEXXOFLG-UHFFFAOYSA-N 1 0 521.810 4.650 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000019938341 553637872 /nfs/dbraw/zinc/63/78/72/553637872.db2.gz XPLQPZJDRKTVPQ-SANMLTNESA-N 1 0 510.631 4.664 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000019938342 553637866 /nfs/dbraw/zinc/63/78/66/553637866.db2.gz XPLQPZJDRKTVPQ-AREMUKBSSA-N 1 0 510.631 4.664 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000019972618 553649462 /nfs/dbraw/zinc/64/94/62/553649462.db2.gz JKWOVSOSIODADJ-SANMLTNESA-N 1 0 510.631 4.664 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CC[NH+](CC)CC)ccc1O ZINC000020029271 553664075 /nfs/dbraw/zinc/66/40/75/553664075.db2.gz XCITXMJNHIDVAC-SANMLTNESA-N 1 0 510.631 4.807 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CC[NH+](CC)CC)ccc1O ZINC000020029272 553664089 /nfs/dbraw/zinc/66/40/89/553664089.db2.gz XCITXMJNHIDVAC-AREMUKBSSA-N 1 0 510.631 4.807 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccc(OC)c1OC ZINC000020029441 553664113 /nfs/dbraw/zinc/66/41/13/553664113.db2.gz BLEIFNMSXQAMQE-VWLOTQADSA-N 1 0 510.631 4.720 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccc(OC)c1OC ZINC000020029442 553664132 /nfs/dbraw/zinc/66/41/32/553664132.db2.gz BLEIFNMSXQAMQE-RUZDIDTESA-N 1 0 510.631 4.720 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000020065030 553675357 /nfs/dbraw/zinc/67/53/57/553675357.db2.gz NGBGZOPEARMEBM-MHZLTWQESA-N 1 0 524.658 4.967 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000020065031 553675349 /nfs/dbraw/zinc/67/53/49/553675349.db2.gz NGBGZOPEARMEBM-HHHXNRCGSA-N 1 0 524.658 4.967 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000020065324 553675407 /nfs/dbraw/zinc/67/54/07/553675407.db2.gz FONHQJDRMOPMII-MHZLTWQESA-N 1 0 524.658 4.967 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000020065326 553675444 /nfs/dbraw/zinc/67/54/44/553675444.db2.gz FONHQJDRMOPMII-HHHXNRCGSA-N 1 0 524.658 4.967 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(O)c(OC)c1 ZINC000020065330 553675387 /nfs/dbraw/zinc/67/53/87/553675387.db2.gz CXWSQZUWRBYJAO-SANMLTNESA-N 1 0 510.631 4.664 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000020065332 553675430 /nfs/dbraw/zinc/67/54/30/553675430.db2.gz CXWSQZUWRBYJAO-AREMUKBSSA-N 1 0 510.631 4.664 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Br)c1 ZINC000020080325 553678578 /nfs/dbraw/zinc/67/85/78/553678578.db2.gz VJMCOZXJRAAWIN-QFIPXVFZSA-N 1 0 501.421 4.686 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Br)c1 ZINC000020080329 553678550 /nfs/dbraw/zinc/67/85/50/553678550.db2.gz VJMCOZXJRAAWIN-JOCHJYFZSA-N 1 0 501.421 4.686 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020080914 553679587 /nfs/dbraw/zinc/67/95/87/553679587.db2.gz WTGDJOTXYMVECB-MHZLTWQESA-N 1 0 524.658 4.967 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000020080916 553679639 /nfs/dbraw/zinc/67/96/39/553679639.db2.gz WTGDJOTXYMVECB-HHHXNRCGSA-N 1 0 524.658 4.967 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Br)cc1 ZINC000020082366 553681512 /nfs/dbraw/zinc/68/15/12/553681512.db2.gz XEKQGQJGJMLSRW-QFIPXVFZSA-N 1 0 501.421 4.686 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Br)cc1 ZINC000020082370 553681553 /nfs/dbraw/zinc/68/15/53/553681553.db2.gz XEKQGQJGJMLSRW-JOCHJYFZSA-N 1 0 501.421 4.686 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000020100139 553686824 /nfs/dbraw/zinc/68/68/24/553686824.db2.gz LYVOFPIXXVGERF-MUUNZHRXSA-N 1 0 530.621 4.818 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000020102246 553687302 /nfs/dbraw/zinc/68/73/02/553687302.db2.gz TYMJDKRHZVPRSQ-SANMLTNESA-N 1 0 510.631 4.664 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000020102249 553687388 /nfs/dbraw/zinc/68/73/88/553687388.db2.gz TYMJDKRHZVPRSQ-AREMUKBSSA-N 1 0 510.631 4.664 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000020102515 553687703 /nfs/dbraw/zinc/68/77/03/553687703.db2.gz ZMSYGGGZIKHLOI-QFIPXVFZSA-N 1 0 501.421 4.686 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000020102518 553687698 /nfs/dbraw/zinc/68/76/98/553687698.db2.gz ZMSYGGGZIKHLOI-JOCHJYFZSA-N 1 0 501.421 4.686 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000020102845 553687647 /nfs/dbraw/zinc/68/76/47/553687647.db2.gz KIJGFMSMKCRDJP-NDEPHWFRSA-N 1 0 530.621 4.818 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000020102848 553687628 /nfs/dbraw/zinc/68/76/28/553687628.db2.gz KIJGFMSMKCRDJP-MUUNZHRXSA-N 1 0 530.621 4.818 50 30 KJEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@@H]12 ZINC000020113331 553695409 /nfs/dbraw/zinc/69/54/09/553695409.db2.gz PYKVYGKLIKJSNV-PAVKSNICSA-N 1 0 500.683 4.812 50 30 biogenic KJEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@H]12 ZINC000020113334 553695376 /nfs/dbraw/zinc/69/53/76/553695376.db2.gz PYKVYGKLIKJSNV-IPVPECPMSA-N 1 0 500.683 4.812 50 30 biogenic KJEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@@H]12 ZINC000020113335 553695430 /nfs/dbraw/zinc/69/54/30/553695430.db2.gz PYKVYGKLIKJSNV-UJPMWDSZSA-N 1 0 500.683 4.812 50 30 biogenic KJEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[NH+]4CCN(C(O)(c5ccccc5)c5ccccc5)CC4)[C@H]3C[C@H]12 ZINC000020113337 553695368 /nfs/dbraw/zinc/69/53/68/553695368.db2.gz PYKVYGKLIKJSNV-NUYPRQGGSA-N 1 0 500.683 4.812 50 30 biogenic KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020129933 553591315 /nfs/dbraw/zinc/59/13/15/553591315.db2.gz YEEUWDPDQYVWGK-MHZLTWQESA-N 1 0 524.658 4.967 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000020129935 553591395 /nfs/dbraw/zinc/59/13/95/553591395.db2.gz YEEUWDPDQYVWGK-HHHXNRCGSA-N 1 0 524.658 4.967 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020130602 553591371 /nfs/dbraw/zinc/59/13/71/553591371.db2.gz LADRTMZWSONRBC-VWLOTQADSA-N 1 0 509.603 4.858 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020130605 553591292 /nfs/dbraw/zinc/59/12/92/553591292.db2.gz LADRTMZWSONRBC-RUZDIDTESA-N 1 0 509.603 4.858 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020130752 553591341 /nfs/dbraw/zinc/59/13/41/553591341.db2.gz SFTGZOWJUDYQKM-VWLOTQADSA-N 1 0 509.603 4.858 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020130756 553591411 /nfs/dbraw/zinc/59/14/11/553591411.db2.gz SFTGZOWJUDYQKM-RUZDIDTESA-N 1 0 509.603 4.858 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020130778 553591386 /nfs/dbraw/zinc/59/13/86/553591386.db2.gz SGCMUQXFHQWDDP-VWLOTQADSA-N 1 0 509.603 4.858 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020130782 553591415 /nfs/dbraw/zinc/59/14/15/553591415.db2.gz SGCMUQXFHQWDDP-RUZDIDTESA-N 1 0 509.603 4.858 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000020132951 553592265 /nfs/dbraw/zinc/59/22/65/553592265.db2.gz BELKKEOSLXGDKV-XMMPIXPASA-N 1 0 529.033 4.836 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@H]2c2ccc(C(=O)OC)cc2)cc1Cl ZINC000020132955 553592235 /nfs/dbraw/zinc/59/22/35/553592235.db2.gz BELKKEOSLXGDKV-DEOSSOPVSA-N 1 0 529.033 4.836 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1cccc(Br)c1 ZINC000020134213 553592642 /nfs/dbraw/zinc/59/26/42/553592642.db2.gz KQGRZFXMVGSFML-IBGZPJMESA-N 1 0 506.466 4.833 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1cccc(Br)c1 ZINC000020134217 553592550 /nfs/dbraw/zinc/59/25/50/553592550.db2.gz KQGRZFXMVGSFML-LJQANCHMSA-N 1 0 506.466 4.833 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1ccc(Br)cc1 ZINC000020134464 553592892 /nfs/dbraw/zinc/59/28/92/553592892.db2.gz XRPCSOXCVBUIPW-QFIPXVFZSA-N 1 0 501.421 4.768 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Br)cc1 ZINC000020134468 553592936 /nfs/dbraw/zinc/59/29/36/553592936.db2.gz XRPCSOXCVBUIPW-JOCHJYFZSA-N 1 0 501.421 4.768 50 30 KJEARO C=CCOC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020149610 553594691 /nfs/dbraw/zinc/59/46/91/553594691.db2.gz OEVNIGAPTOCQEH-VWLOTQADSA-N 1 0 503.606 4.878 50 30 KJEARO C=CCOC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000020149611 553594550 /nfs/dbraw/zinc/59/45/50/553594550.db2.gz OEVNIGAPTOCQEH-RUZDIDTESA-N 1 0 503.606 4.878 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccc(Br)cc1 ZINC000020149738 553594640 /nfs/dbraw/zinc/59/46/40/553594640.db2.gz KXXWCSASLGHKNL-IBGZPJMESA-N 1 0 506.466 4.833 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2sc(C)nc2C)[C@H]1c1ccc(Br)cc1 ZINC000020149740 553594584 /nfs/dbraw/zinc/59/45/84/553594584.db2.gz KXXWCSASLGHKNL-LJQANCHMSA-N 1 0 506.466 4.833 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@@H]1c1cccc(Br)c1 ZINC000020149752 553594644 /nfs/dbraw/zinc/59/46/44/553594644.db2.gz KENDLYTUFFSAJS-QFIPXVFZSA-N 1 0 501.421 4.768 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2cccc(OC)c2)[C@H]1c1cccc(Br)c1 ZINC000020149753 553594698 /nfs/dbraw/zinc/59/46/98/553594698.db2.gz KENDLYTUFFSAJS-JOCHJYFZSA-N 1 0 501.421 4.768 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C(C)C)cc1 ZINC000020150129 553595003 /nfs/dbraw/zinc/59/50/03/553595003.db2.gz ZFILQOYDNMTIMD-VWLOTQADSA-N 1 0 509.647 4.852 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C(C)C)cc1 ZINC000020150130 553594969 /nfs/dbraw/zinc/59/49/69/553594969.db2.gz ZFILQOYDNMTIMD-RUZDIDTESA-N 1 0 509.647 4.852 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(Br)c1 ZINC000020188964 553605275 /nfs/dbraw/zinc/60/52/75/553605275.db2.gz OPGQYXIUWNHNDC-QFIPXVFZSA-N 1 0 501.421 4.768 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(Br)c1 ZINC000020188968 553605351 /nfs/dbraw/zinc/60/53/51/553605351.db2.gz OPGQYXIUWNHNDC-JOCHJYFZSA-N 1 0 501.421 4.768 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020192453 553606165 /nfs/dbraw/zinc/60/61/65/553606165.db2.gz VWEDJNIICJPYOE-MHZLTWQESA-N 1 0 500.595 4.593 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020192459 553606234 /nfs/dbraw/zinc/60/62/34/553606234.db2.gz VWEDJNIICJPYOE-HHHXNRCGSA-N 1 0 500.595 4.593 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000020219165 553614738 /nfs/dbraw/zinc/61/47/38/553614738.db2.gz KIFXXIICNRKANK-DEOSSOPVSA-N 1 0 509.647 4.636 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000020219166 553614706 /nfs/dbraw/zinc/61/47/06/553614706.db2.gz KIFXXIICNRKANK-XMMPIXPASA-N 1 0 509.647 4.636 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1cc(OC)ccc1OC ZINC000020219212 553614705 /nfs/dbraw/zinc/61/47/05/553614705.db2.gz VIWKQUVODYBLIK-SANMLTNESA-N 1 0 510.631 4.801 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cc(OC)ccc1OC ZINC000020219213 553614780 /nfs/dbraw/zinc/61/47/80/553614780.db2.gz VIWKQUVODYBLIK-AREMUKBSSA-N 1 0 510.631 4.801 50 30 KJEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(Br)c3)oc21 ZINC000020219408 553615105 /nfs/dbraw/zinc/61/51/05/553615105.db2.gz QWJIYQLGDOGWGZ-OAQYLSRUSA-N 1 0 513.388 4.734 50 30 KJEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(Br)c3)oc21 ZINC000020219409 553615154 /nfs/dbraw/zinc/61/51/54/553615154.db2.gz QWJIYQLGDOGWGZ-NRFANRHFSA-N 1 0 513.388 4.734 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000020219469 553615157 /nfs/dbraw/zinc/61/51/57/553615157.db2.gz DTVFBZAOQCLZTF-AREMUKBSSA-N 1 0 510.631 4.803 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000020219470 553615088 /nfs/dbraw/zinc/61/50/88/553615088.db2.gz DTVFBZAOQCLZTF-SANMLTNESA-N 1 0 510.631 4.803 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000020219539 553615445 /nfs/dbraw/zinc/61/54/45/553615445.db2.gz YGQDZIOFUVQDNA-MHZLTWQESA-N 1 0 518.610 4.966 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000020219540 553615379 /nfs/dbraw/zinc/61/53/79/553615379.db2.gz YGQDZIOFUVQDNA-HHHXNRCGSA-N 1 0 518.610 4.966 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000020219541 553615499 /nfs/dbraw/zinc/61/54/99/553615499.db2.gz QCQNRELOTKYZTL-SANMLTNESA-N 1 0 510.631 4.801 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000020219542 553615442 /nfs/dbraw/zinc/61/54/42/553615442.db2.gz QCQNRELOTKYZTL-AREMUKBSSA-N 1 0 510.631 4.801 50 30 KJEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 ZINC000020219610 553615436 /nfs/dbraw/zinc/61/54/36/553615436.db2.gz BJUQRWBIBMJLNE-MUUNZHRXSA-N 1 0 530.621 4.731 50 30 KJEARO COc1cccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 ZINC000020219611 553615397 /nfs/dbraw/zinc/61/53/97/553615397.db2.gz BJUQRWBIBMJLNE-NDEPHWFRSA-N 1 0 530.621 4.731 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1cccc(Br)c1 ZINC000020219775 553615770 /nfs/dbraw/zinc/61/57/70/553615770.db2.gz WUZZUHBKAKRJIZ-QHCPKHFHSA-N 1 0 525.447 4.715 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1cccc(Br)c1 ZINC000020219776 553615799 /nfs/dbraw/zinc/61/57/99/553615799.db2.gz WUZZUHBKAKRJIZ-HSZRJFAPSA-N 1 0 525.447 4.715 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@@H]1c1ccc(Br)cc1 ZINC000020219777 553615754 /nfs/dbraw/zinc/61/57/54/553615754.db2.gz KYBMOCKTJHDSPI-QHCPKHFHSA-N 1 0 525.447 4.715 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn32)[C@H]1c1ccc(Br)cc1 ZINC000020219778 553615746 /nfs/dbraw/zinc/61/57/46/553615746.db2.gz KYBMOCKTJHDSPI-HSZRJFAPSA-N 1 0 525.447 4.715 50 30 KJEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccc(Br)cc3)oc21 ZINC000020219811 553615793 /nfs/dbraw/zinc/61/57/93/553615793.db2.gz UAGRYCULBQCCGW-OAQYLSRUSA-N 1 0 513.388 4.734 50 30 KJEARO COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(Br)cc3)oc21 ZINC000020219812 553615700 /nfs/dbraw/zinc/61/57/00/553615700.db2.gz UAGRYCULBQCCGW-NRFANRHFSA-N 1 0 513.388 4.734 50 30 KJEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000020228050 553616301 /nfs/dbraw/zinc/61/63/01/553616301.db2.gz MNTIMSJTAGQDTO-HXUWFJFHSA-N 1 0 507.812 4.641 50 30 KJEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000020228681 553616765 /nfs/dbraw/zinc/61/67/65/553616765.db2.gz OCTBDQUVBIQBKK-HXUWFJFHSA-N 1 0 507.812 4.641 50 30 KJEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000020228684 553616624 /nfs/dbraw/zinc/61/66/24/553616624.db2.gz OCTBDQUVBIQBKK-FQEVSTJZSA-N 1 0 507.812 4.641 50 30 KJEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OCCOc3ccccc3C)cc2)o1 ZINC000020229037 553616628 /nfs/dbraw/zinc/61/66/28/553616628.db2.gz CUGUBUSFIUDTPM-MHZLTWQESA-N 1 0 518.610 4.884 50 30 KJEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OCCOc3ccccc3C)cc2)o1 ZINC000020229039 553616780 /nfs/dbraw/zinc/61/67/80/553616780.db2.gz CUGUBUSFIUDTPM-HHHXNRCGSA-N 1 0 518.610 4.884 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020229240 553616695 /nfs/dbraw/zinc/61/66/95/553616695.db2.gz ICYNVEFWOSNFBE-NDEPHWFRSA-N 1 0 514.622 4.983 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020229242 553616748 /nfs/dbraw/zinc/61/67/48/553616748.db2.gz ICYNVEFWOSNFBE-MUUNZHRXSA-N 1 0 514.622 4.983 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2cccc(Br)c2)cc1 ZINC000020229267 553616818 /nfs/dbraw/zinc/61/68/18/553616818.db2.gz TZKANLBQTMYQMY-JOCHJYFZSA-N 1 0 501.421 4.768 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2cccc(Br)c2)cc1 ZINC000020229269 553616650 /nfs/dbraw/zinc/61/66/50/553616650.db2.gz TZKANLBQTMYQMY-QFIPXVFZSA-N 1 0 501.421 4.768 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cc(OC)ccc1OC ZINC000020229479 553616718 /nfs/dbraw/zinc/61/67/18/553616718.db2.gz ACTULTUHYBRLBR-DEOSSOPVSA-N 1 0 517.022 4.676 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cc(OC)ccc1OC ZINC000020229481 553616710 /nfs/dbraw/zinc/61/67/10/553616710.db2.gz ACTULTUHYBRLBR-XMMPIXPASA-N 1 0 517.022 4.676 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020229772 553617124 /nfs/dbraw/zinc/61/71/24/553617124.db2.gz OBPXJHKFWVEYOL-DEOSSOPVSA-N 1 0 517.022 4.676 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000020229774 553617095 /nfs/dbraw/zinc/61/70/95/553617095.db2.gz OBPXJHKFWVEYOL-XMMPIXPASA-N 1 0 517.022 4.676 50 30 KJEARO CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020230176 553617119 /nfs/dbraw/zinc/61/71/19/553617119.db2.gz DWHCXDRGWFBTRI-QFIPXVFZSA-N 1 0 501.421 4.766 50 30 KJEARO CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020230179 553617018 /nfs/dbraw/zinc/61/70/18/553617018.db2.gz DWHCXDRGWFBTRI-JOCHJYFZSA-N 1 0 501.421 4.766 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000020230496 553617402 /nfs/dbraw/zinc/61/74/02/553617402.db2.gz MMKYRRKMQVKNRK-SANMLTNESA-N 1 0 510.631 4.803 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000020230498 553617478 /nfs/dbraw/zinc/61/74/78/553617478.db2.gz MMKYRRKMQVKNRK-AREMUKBSSA-N 1 0 510.631 4.803 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000020230617 553617420 /nfs/dbraw/zinc/61/74/20/553617420.db2.gz DZKUKBMJOXCWLE-AREMUKBSSA-N 1 0 510.631 4.803 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000020230619 553617528 /nfs/dbraw/zinc/61/75/28/553617528.db2.gz DZKUKBMJOXCWLE-SANMLTNESA-N 1 0 510.631 4.803 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000020230781 553617408 /nfs/dbraw/zinc/61/74/08/553617408.db2.gz NPKLLJYGTNNTNZ-SANMLTNESA-N 1 0 510.631 4.803 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000020230785 553617561 /nfs/dbraw/zinc/61/75/61/553617561.db2.gz NPKLLJYGTNNTNZ-AREMUKBSSA-N 1 0 510.631 4.803 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020231404 553617482 /nfs/dbraw/zinc/61/74/82/553617482.db2.gz IJBZWSKRAIMYLO-QFIPXVFZSA-N 1 0 501.967 4.567 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020231407 553617373 /nfs/dbraw/zinc/61/73/73/553617373.db2.gz IJBZWSKRAIMYLO-JOCHJYFZSA-N 1 0 501.967 4.567 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020231510 553617426 /nfs/dbraw/zinc/61/74/26/553617426.db2.gz MSFNADVVISNWCD-VWLOTQADSA-N 1 0 506.624 4.654 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020231513 553617570 /nfs/dbraw/zinc/61/75/70/553617570.db2.gz MSFNADVVISNWCD-RUZDIDTESA-N 1 0 506.624 4.654 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020231665 553617385 /nfs/dbraw/zinc/61/73/85/553617385.db2.gz BUIOOBOVPDXBDQ-QHCPKHFHSA-N 1 0 513.432 4.934 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1 ZINC000020231668 553617470 /nfs/dbraw/zinc/61/74/70/553617470.db2.gz BUIOOBOVPDXBDQ-HSZRJFAPSA-N 1 0 513.432 4.934 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000020232035 553617693 /nfs/dbraw/zinc/61/76/93/553617693.db2.gz DXCCVWKDBYAGRW-SANMLTNESA-N 1 0 515.566 4.622 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000020232040 553617674 /nfs/dbraw/zinc/61/76/74/553617674.db2.gz DXCCVWKDBYAGRW-AREMUKBSSA-N 1 0 515.566 4.622 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020232182 553618052 /nfs/dbraw/zinc/61/80/52/553618052.db2.gz JNXKJTAGIDTNOH-QFIPXVFZSA-N 1 0 501.967 4.567 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(Cl)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020232187 553618039 /nfs/dbraw/zinc/61/80/39/553618039.db2.gz JNXKJTAGIDTNOH-JOCHJYFZSA-N 1 0 501.967 4.567 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000020232208 553618099 /nfs/dbraw/zinc/61/80/99/553618099.db2.gz IUELNAXVAHFMBQ-NDEPHWFRSA-N 1 0 530.621 4.818 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000020232214 553618016 /nfs/dbraw/zinc/61/80/16/553618016.db2.gz IUELNAXVAHFMBQ-MUUNZHRXSA-N 1 0 530.621 4.818 50 30 KJEARO COc1ccc(Cc2c3cc(OC)c(OC)cc3cc[n+]2CC(=O)c2ccc([N+](=O)[O-])cc2)cc1OC ZINC000020259120 553629478 /nfs/dbraw/zinc/62/94/78/553629478.db2.gz UAZPZKWASOOQDI-UHFFFAOYSA-N 1 0 503.531 4.544 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020264172 553629821 /nfs/dbraw/zinc/62/98/21/553629821.db2.gz RUSRGMJQQWHLDP-SANMLTNESA-N 1 0 504.583 4.576 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000020264175 553629779 /nfs/dbraw/zinc/62/97/79/553629779.db2.gz RUSRGMJQQWHLDP-AREMUKBSSA-N 1 0 504.583 4.576 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000020264924 553629749 /nfs/dbraw/zinc/62/97/49/553629749.db2.gz ZMUXSTNNYFJCIX-JOCHJYFZSA-N 1 0 501.421 4.768 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(Br)cc2)cc1 ZINC000020264927 553629801 /nfs/dbraw/zinc/62/98/01/553629801.db2.gz ZMUXSTNNYFJCIX-QFIPXVFZSA-N 1 0 501.421 4.768 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000020265207 553630025 /nfs/dbraw/zinc/63/00/25/553630025.db2.gz PXPOFYARYVKYHG-SANMLTNESA-N 1 0 510.631 4.803 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000020265210 553630090 /nfs/dbraw/zinc/63/00/90/553630090.db2.gz PXPOFYARYVKYHG-AREMUKBSSA-N 1 0 510.631 4.803 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000020280719 553630993 /nfs/dbraw/zinc/63/09/93/553630993.db2.gz INSFIEHGVFYDKZ-SANMLTNESA-N 1 0 510.631 4.801 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000020280722 553631021 /nfs/dbraw/zinc/63/10/21/553631021.db2.gz INSFIEHGVFYDKZ-AREMUKBSSA-N 1 0 510.631 4.801 50 30 KJEARO CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020281330 553630963 /nfs/dbraw/zinc/63/09/63/553630963.db2.gz IGEQNXJLZOWQPD-QFIPXVFZSA-N 1 0 501.421 4.768 50 30 KJEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020281335 553631082 /nfs/dbraw/zinc/63/10/82/553631082.db2.gz IGEQNXJLZOWQPD-JOCHJYFZSA-N 1 0 501.421 4.768 50 30 KJEARO CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020288939 553634072 /nfs/dbraw/zinc/63/40/72/553634072.db2.gz PHCOUKBOSQTAKK-SANMLTNESA-N 1 0 508.615 4.557 50 30 KJEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020288943 553634009 /nfs/dbraw/zinc/63/40/09/553634009.db2.gz PHCOUKBOSQTAKK-AREMUKBSSA-N 1 0 508.615 4.557 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020290654 553634885 /nfs/dbraw/zinc/63/48/85/553634885.db2.gz LBASVZXUCSYJTC-MHZLTWQESA-N 1 0 522.642 4.947 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020290657 553634974 /nfs/dbraw/zinc/63/49/74/553634974.db2.gz LBASVZXUCSYJTC-HHHXNRCGSA-N 1 0 522.642 4.947 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020291951 553635282 /nfs/dbraw/zinc/63/52/82/553635282.db2.gz BUKGJACWRKFGRU-SANMLTNESA-N 1 0 508.615 4.557 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020291953 553635351 /nfs/dbraw/zinc/63/53/51/553635351.db2.gz BUKGJACWRKFGRU-AREMUKBSSA-N 1 0 508.615 4.557 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020308037 553636131 /nfs/dbraw/zinc/63/61/31/553636131.db2.gz JUHIHJANYCDUAG-MHZLTWQESA-N 1 0 518.585 4.732 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000020308039 553636051 /nfs/dbraw/zinc/63/60/51/553636051.db2.gz JUHIHJANYCDUAG-HHHXNRCGSA-N 1 0 518.585 4.732 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(F)c2)[C@@H]1c1cc(OC)ccc1OC ZINC000020308674 553635942 /nfs/dbraw/zinc/63/59/42/553635942.db2.gz OPCXPANRSBREJL-SANMLTNESA-N 1 0 528.621 4.940 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(F)c2)[C@H]1c1cc(OC)ccc1OC ZINC000020308677 553636116 /nfs/dbraw/zinc/63/61/16/553636116.db2.gz OPCXPANRSBREJL-AREMUKBSSA-N 1 0 528.621 4.940 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3O)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000020310711 553637609 /nfs/dbraw/zinc/63/76/09/553637609.db2.gz AEDXKEHPRZHOBE-SANMLTNESA-N 1 0 510.631 4.808 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3O)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000020310715 553637569 /nfs/dbraw/zinc/63/75/69/553637569.db2.gz AEDXKEHPRZHOBE-AREMUKBSSA-N 1 0 510.631 4.808 50 30 KJEARO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020324556 553638600 /nfs/dbraw/zinc/63/86/00/553638600.db2.gz OGMNWRUIEBANLY-MHZLTWQESA-N 1 0 522.642 4.947 50 30 KJEARO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020324563 553638494 /nfs/dbraw/zinc/63/84/94/553638494.db2.gz OGMNWRUIEBANLY-HHHXNRCGSA-N 1 0 522.642 4.947 50 30 KJEARO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020324580 553638483 /nfs/dbraw/zinc/63/84/83/553638483.db2.gz UYTYZALAHPQKLT-MHZLTWQESA-N 1 0 522.642 4.947 50 30 KJEARO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020324586 553638497 /nfs/dbraw/zinc/63/84/97/553638497.db2.gz UYTYZALAHPQKLT-HHHXNRCGSA-N 1 0 522.642 4.947 50 30 KJEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000020324659 553638554 /nfs/dbraw/zinc/63/85/54/553638554.db2.gz YBKRBNWAZVLEEZ-NDEPHWFRSA-N 1 0 528.605 4.567 50 30 KJEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000020324665 553638577 /nfs/dbraw/zinc/63/85/77/553638577.db2.gz YBKRBNWAZVLEEZ-MUUNZHRXSA-N 1 0 528.605 4.567 50 30 KJEARO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020324887 553638568 /nfs/dbraw/zinc/63/85/68/553638568.db2.gz GFBVGWKMTZZXLW-SANMLTNESA-N 1 0 508.615 4.557 50 30 KJEARO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000020324891 553638592 /nfs/dbraw/zinc/63/85/92/553638592.db2.gz GFBVGWKMTZZXLW-AREMUKBSSA-N 1 0 508.615 4.557 50 30 KJEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020328084 553639042 /nfs/dbraw/zinc/63/90/42/553639042.db2.gz DDHFHBGJBXDZCR-DCFHFQCYSA-N 1 0 504.627 4.885 50 30 KJEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020328090 553639142 /nfs/dbraw/zinc/63/91/42/553639142.db2.gz DDHFHBGJBXDZCR-CCLHPLFOSA-N 1 0 504.627 4.885 50 30 KJEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020328095 553639147 /nfs/dbraw/zinc/63/91/47/553639147.db2.gz DDHFHBGJBXDZCR-HRFSGMKKSA-N 1 0 504.627 4.885 50 30 KJEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000020328100 553639027 /nfs/dbraw/zinc/63/90/27/553639027.db2.gz DDHFHBGJBXDZCR-NFQMXDRXSA-N 1 0 504.627 4.885 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000020328187 553639008 /nfs/dbraw/zinc/63/90/08/553639008.db2.gz NGHRUMOAVWRHSV-PPHZAIPVSA-N 1 0 522.642 4.728 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000020328193 553639056 /nfs/dbraw/zinc/63/90/56/553639056.db2.gz NGHRUMOAVWRHSV-UZTOHYMASA-N 1 0 522.642 4.728 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000020328199 553639135 /nfs/dbraw/zinc/63/91/35/553639135.db2.gz NGHRUMOAVWRHSV-WINIVTDRSA-N 1 0 522.642 4.728 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000020328205 553639099 /nfs/dbraw/zinc/63/90/99/553639099.db2.gz NGHRUMOAVWRHSV-XHCCPWGMSA-N 1 0 522.642 4.728 50 30 KJEARO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020328896 553639109 /nfs/dbraw/zinc/63/91/09/553639109.db2.gz XAQILHZDOSNAKB-SANMLTNESA-N 1 0 508.615 4.557 50 30 KJEARO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000020328901 553639067 /nfs/dbraw/zinc/63/90/67/553639067.db2.gz XAQILHZDOSNAKB-AREMUKBSSA-N 1 0 508.615 4.557 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000020329855 553639431 /nfs/dbraw/zinc/63/94/31/553639431.db2.gz QSEIILIHYKGDDK-PPHZAIPVSA-N 1 0 522.642 4.728 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000020329861 553639436 /nfs/dbraw/zinc/63/94/36/553639436.db2.gz QSEIILIHYKGDDK-UZTOHYMASA-N 1 0 522.642 4.728 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000020329866 553639426 /nfs/dbraw/zinc/63/94/26/553639426.db2.gz QSEIILIHYKGDDK-WINIVTDRSA-N 1 0 522.642 4.728 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000020329871 553639445 /nfs/dbraw/zinc/63/94/45/553639445.db2.gz QSEIILIHYKGDDK-XHCCPWGMSA-N 1 0 522.642 4.728 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000020331967 553639822 /nfs/dbraw/zinc/63/98/22/553639822.db2.gz NZRWCGWXLCVHQJ-MHZLTWQESA-N 1 0 522.642 4.803 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000020331972 553639836 /nfs/dbraw/zinc/63/98/36/553639836.db2.gz NZRWCGWXLCVHQJ-HHHXNRCGSA-N 1 0 522.642 4.803 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020332868 553639778 /nfs/dbraw/zinc/63/97/78/553639778.db2.gz ZTAARVGGZDMCIR-DCFHFQCYSA-N 1 0 504.627 4.885 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020332872 553639814 /nfs/dbraw/zinc/63/98/14/553639814.db2.gz ZTAARVGGZDMCIR-CCLHPLFOSA-N 1 0 504.627 4.885 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020332875 553639767 /nfs/dbraw/zinc/63/97/67/553639767.db2.gz ZTAARVGGZDMCIR-HRFSGMKKSA-N 1 0 504.627 4.885 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000020332879 553639827 /nfs/dbraw/zinc/63/98/27/553639827.db2.gz ZTAARVGGZDMCIR-NFQMXDRXSA-N 1 0 504.627 4.885 50 30 KJEARO COc1ccccc1[C@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1CCC[NH+](C)C ZINC000020390173 553644660 /nfs/dbraw/zinc/64/46/60/553644660.db2.gz SIFCFIHZSRBEOK-MHZLTWQESA-N 1 0 500.595 4.804 50 30 KJEARO COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1CCC[NH+](C)C ZINC000020390181 553644643 /nfs/dbraw/zinc/64/46/43/553644643.db2.gz SIFCFIHZSRBEOK-HHHXNRCGSA-N 1 0 500.595 4.804 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000020391135 553645100 /nfs/dbraw/zinc/64/51/00/553645100.db2.gz VLXPXJVDEYCMSP-PPHZAIPVSA-N 1 0 522.642 4.728 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000020391140 553645001 /nfs/dbraw/zinc/64/50/01/553645001.db2.gz VLXPXJVDEYCMSP-UZTOHYMASA-N 1 0 522.642 4.728 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000020391144 553645063 /nfs/dbraw/zinc/64/50/63/553645063.db2.gz VLXPXJVDEYCMSP-WINIVTDRSA-N 1 0 522.642 4.728 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000020391149 553645128 /nfs/dbraw/zinc/64/51/28/553645128.db2.gz VLXPXJVDEYCMSP-XHCCPWGMSA-N 1 0 522.642 4.728 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000020391969 553645112 /nfs/dbraw/zinc/64/51/12/553645112.db2.gz CSYSZSICDFKFPF-MMTVBGGISA-N 1 0 534.653 4.894 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000020391972 553645141 /nfs/dbraw/zinc/64/51/41/553645141.db2.gz CSYSZSICDFKFPF-WTYVLRPYSA-N 1 0 534.653 4.894 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000020391975 553645094 /nfs/dbraw/zinc/64/50/94/553645094.db2.gz CSYSZSICDFKFPF-NGOKVRLYSA-N 1 0 534.653 4.894 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000020391978 553645137 /nfs/dbraw/zinc/64/51/37/553645137.db2.gz CSYSZSICDFKFPF-PIIWDFAUSA-N 1 0 534.653 4.894 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000020395192 553645726 /nfs/dbraw/zinc/64/57/26/553645726.db2.gz RHYAQUGOFLDUTF-MHZLTWQESA-N 1 0 500.595 4.891 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 ZINC000020395196 553645683 /nfs/dbraw/zinc/64/56/83/553645683.db2.gz RHYAQUGOFLDUTF-HHHXNRCGSA-N 1 0 500.595 4.891 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000020395355 553645660 /nfs/dbraw/zinc/64/56/60/553645660.db2.gz QUOXISUNUMBXHQ-PPHZAIPVSA-N 1 0 520.626 4.504 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000020395358 553645713 /nfs/dbraw/zinc/64/57/13/553645713.db2.gz QUOXISUNUMBXHQ-UZTOHYMASA-N 1 0 520.626 4.504 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000020395361 553645753 /nfs/dbraw/zinc/64/57/53/553645753.db2.gz QUOXISUNUMBXHQ-WINIVTDRSA-N 1 0 520.626 4.504 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000020395365 553645700 /nfs/dbraw/zinc/64/57/00/553645700.db2.gz QUOXISUNUMBXHQ-XHCCPWGMSA-N 1 0 520.626 4.504 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000020519231 553668704 /nfs/dbraw/zinc/66/87/04/553668704.db2.gz ZNKDUIAOVDXNEO-PPHZAIPVSA-N 1 0 522.642 4.728 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000020519233 553668754 /nfs/dbraw/zinc/66/87/54/553668754.db2.gz ZNKDUIAOVDXNEO-UZTOHYMASA-N 1 0 522.642 4.728 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000020519235 553668729 /nfs/dbraw/zinc/66/87/29/553668729.db2.gz ZNKDUIAOVDXNEO-WINIVTDRSA-N 1 0 522.642 4.728 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000020519237 553668737 /nfs/dbraw/zinc/66/87/37/553668737.db2.gz ZNKDUIAOVDXNEO-XHCCPWGMSA-N 1 0 522.642 4.728 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000020533205 553670735 /nfs/dbraw/zinc/67/07/35/553670735.db2.gz GSFZZMJIFVDQQQ-MMTVBGGISA-N 1 0 536.669 4.974 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000020533206 553670594 /nfs/dbraw/zinc/67/05/94/553670594.db2.gz GSFZZMJIFVDQQQ-WTYVLRPYSA-N 1 0 536.669 4.974 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000020533207 553670610 /nfs/dbraw/zinc/67/06/10/553670610.db2.gz GSFZZMJIFVDQQQ-NGOKVRLYSA-N 1 0 536.669 4.974 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000020533208 553670728 /nfs/dbraw/zinc/67/07/28/553670728.db2.gz GSFZZMJIFVDQQQ-PIIWDFAUSA-N 1 0 536.669 4.974 50 30 KJEARO CCc1cccc(CC)c1NC(=S)N/N=C1/c2ccccc2N(CN2CC[NH+](C3CCCCC3)CC2)C1=O ZINC000020685327 553688568 /nfs/dbraw/zinc/68/85/68/553688568.db2.gz JSTLDWTVEBFOHP-BLCKFSMSSA-N 1 0 532.758 4.757 50 30 KJEARO C=CC(=O)Nc1cc2c(cc1C#CC(C)(C)N1CC[NH+](C)CC1)ncnc2Nc1ccc(F)c(Cl)c1 ZINC000022453472 553742656 /nfs/dbraw/zinc/74/26/56/553742656.db2.gz ZAJXXUDARPGGOC-UHFFFAOYSA-N 1 0 507.013 4.668 50 30 investigational KJEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080554 553788450 /nfs/dbraw/zinc/78/84/50/553788450.db2.gz QFIHZGGYQGTURA-QHCPKHFHSA-N 1 0 513.432 4.852 50 30 KJEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080556 553788413 /nfs/dbraw/zinc/78/84/13/553788413.db2.gz QFIHZGGYQGTURA-HSZRJFAPSA-N 1 0 513.432 4.852 50 30 KJEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024080641 553788457 /nfs/dbraw/zinc/78/84/57/553788457.db2.gz VECALQWBQNAWEM-JOCHJYFZSA-N 1 0 501.421 4.686 50 30 KJEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024080644 553788398 /nfs/dbraw/zinc/78/83/98/553788398.db2.gz VECALQWBQNAWEM-QFIPXVFZSA-N 1 0 501.421 4.686 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080769 553788813 /nfs/dbraw/zinc/78/88/13/553788813.db2.gz MIWGBSUMZSLUIX-JOCHJYFZSA-N 1 0 501.421 4.686 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080771 553788819 /nfs/dbraw/zinc/78/88/19/553788819.db2.gz MIWGBSUMZSLUIX-QFIPXVFZSA-N 1 0 501.421 4.686 50 30 KJEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000024080867 553788804 /nfs/dbraw/zinc/78/88/04/553788804.db2.gz WCFRWOOWHWKDNH-AREMUKBSSA-N 1 0 510.631 4.721 50 30 KJEARO CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000024080870 553788774 /nfs/dbraw/zinc/78/87/74/553788774.db2.gz WCFRWOOWHWKDNH-SANMLTNESA-N 1 0 510.631 4.721 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024081281 553788765 /nfs/dbraw/zinc/78/87/65/553788765.db2.gz GWHSWTMFGWLGLM-JOCHJYFZSA-N 1 0 501.421 4.686 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081284 553788782 /nfs/dbraw/zinc/78/87/82/553788782.db2.gz GWHSWTMFGWLGLM-QFIPXVFZSA-N 1 0 501.421 4.686 50 30 KJEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081374 553789150 /nfs/dbraw/zinc/78/91/50/553789150.db2.gz DENPLKNSHMKCDO-QHCPKHFHSA-N 1 0 513.432 4.852 50 30 KJEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024081376 553789074 /nfs/dbraw/zinc/78/90/74/553789074.db2.gz DENPLKNSHMKCDO-HSZRJFAPSA-N 1 0 513.432 4.852 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000024146945 553788997 /nfs/dbraw/zinc/78/89/97/553788997.db2.gz VIPZOVSGUNJTGH-PPHZAIPVSA-N 1 0 522.642 4.728 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000024146950 553789079 /nfs/dbraw/zinc/78/90/79/553789079.db2.gz VIPZOVSGUNJTGH-UZTOHYMASA-N 1 0 522.642 4.728 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000024146956 553789032 /nfs/dbraw/zinc/78/90/32/553789032.db2.gz VIPZOVSGUNJTGH-WINIVTDRSA-N 1 0 522.642 4.728 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000024146961 553789132 /nfs/dbraw/zinc/78/91/32/553789132.db2.gz VIPZOVSGUNJTGH-XHCCPWGMSA-N 1 0 522.642 4.728 50 30 KJEARO CC(C)(C)c1cc[n+](C(C(=O)c2ccc(-c3ccccc3)cc2)C(=S)NCCN2CCOCC2)cc1 ZINC000025248016 1066465578 /nfs/dbraw/zinc/46/55/78/1066465578.db2.gz OJTVVAQTCXQDEY-UHFFFAOYSA-O 1 0 502.704 4.799 50 30 KJEARO C/C(=N\[NH+]=C(N)N)[C@@H](C[NH+](CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025586033 553812193 /nfs/dbraw/zinc/81/21/93/553812193.db2.gz WUXKBQSQNLFGIO-LVPSPYOXSA-N 1 0 505.663 4.510 50 30 KJEARO C/C(=N\[NH+]=C(N)N)[C@H](C[NH+](CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025586038 553812215 /nfs/dbraw/zinc/81/22/15/553812215.db2.gz WUXKBQSQNLFGIO-ADIFHMARSA-N 1 0 505.663 4.510 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)c(OCC)c2)c(C)c1 ZINC000026841665 553821583 /nfs/dbraw/zinc/82/15/83/553821583.db2.gz BKVRGCMAPSKZNJ-AREMUKBSSA-N 1 0 510.631 4.808 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)c(OCC)c2)c(C)c1 ZINC000026841672 553821706 /nfs/dbraw/zinc/82/17/06/553821706.db2.gz BKVRGCMAPSKZNJ-SANMLTNESA-N 1 0 510.631 4.808 50 30 KJEARO CNCC(=O)OCc1cccnc1N(C)C(=O)O[C@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000029571072 553846637 /nfs/dbraw/zinc/84/66/37/553846637.db2.gz RSWOJTICKMKTER-GEJZGCERSA-N 1 0 717.779 4.585 50 30 fda KJEARO C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H]([NH3+])C(C)C)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000030727788 553855668 /nfs/dbraw/zinc/85/56/68/553855668.db2.gz LLYYNOVSVPBRGV-MVNKZKPCSA-N 1 0 564.833 4.504 50 30 in-man KJEARO COc1ccc(C(=O)OCC#CC[N@H+](C)[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc1 ZINC000033353654 553926439 /nfs/dbraw/zinc/92/64/39/553926439.db2.gz WFDVTDMCODNHNA-SANMLTNESA-N 1 0 573.642 4.536 50 30 biogenic KJEARO CNCC(=O)OCc1cccnc1N(C)C(=O)O[C@@H](C)[n+]1cnn(C[C@](O)(c2cc(F)ccc2F)[C@@H](C)c2nc(-c3ccc(C#N)cc3)cs2)c1 ZINC000049637509 554324209 /nfs/dbraw/zinc/32/42/09/554324209.db2.gz RSWOJTICKMKTER-KBEDJVHFSA-N 1 0 717.779 4.585 50 30 fda KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000053319356 554337495 /nfs/dbraw/zinc/33/74/95/554337495.db2.gz NCUAZWGHHQXGPV-FYSMJZIKSA-N 1 0 573.484 4.797 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000053335373 554341136 /nfs/dbraw/zinc/34/11/36/554341136.db2.gz VDMWKBSRRQEINZ-LJAQVGFWSA-N 1 0 542.632 4.957 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000053335378 554340969 /nfs/dbraw/zinc/34/09/69/554340969.db2.gz VDMWKBSRRQEINZ-GDLZYMKVSA-N 1 0 542.632 4.957 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Br)c1 ZINC000053339328 554343458 /nfs/dbraw/zinc/34/34/58/554343458.db2.gz YBRZPAAZPIVOGP-QHCPKHFHSA-N 1 0 529.431 4.531 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Br)c1 ZINC000053339332 554343565 /nfs/dbraw/zinc/34/35/65/554343565.db2.gz YBRZPAAZPIVOGP-HSZRJFAPSA-N 1 0 529.431 4.531 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Br)cc1 ZINC000053340025 554343838 /nfs/dbraw/zinc/34/38/38/554343838.db2.gz KPFRHGQBQHBOGF-QHCPKHFHSA-N 1 0 529.431 4.531 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Br)cc1 ZINC000053340028 554343842 /nfs/dbraw/zinc/34/38/42/554343842.db2.gz KPFRHGQBQHBOGF-HSZRJFAPSA-N 1 0 529.431 4.531 50 30 KJEARO C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C1=CCOC1=O ZINC000059101706 554378145 /nfs/dbraw/zinc/37/81/45/554378145.db2.gz UFBOFDTZELUFGK-PPGXDPOHSA-N 1 0 567.679 4.630 50 30 biogenic KJEARO C=C1CC[C@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H]([NH2+]Cc1ccc2c(c1)OCO2)C1=CCOC1=O ZINC000059101708 554378207 /nfs/dbraw/zinc/37/82/07/554378207.db2.gz UFBOFDTZELUFGK-PBBVDRSZSA-N 1 0 567.679 4.630 50 30 biogenic KJEARO C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C1=CCOC1=O ZINC000059101710 554378092 /nfs/dbraw/zinc/37/80/92/554378092.db2.gz UFBOFDTZELUFGK-UACBKSKYSA-N 1 0 567.679 4.630 50 30 biogenic KJEARO C=C1CC[C@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@@H]([NH2+]Cc1ccc2c(c1)OCO2)C1=CCOC1=O ZINC000059101714 554378127 /nfs/dbraw/zinc/37/81/27/554378127.db2.gz UFBOFDTZELUFGK-ODZNXLMESA-N 1 0 567.679 4.630 50 30 biogenic KJEARO Cc1cc(C)nc([NH+]=C(N2CCN(c3nsc4ccccc43)CC2)N2CCN(c3nsc4ccccc43)CC2)n1 ZINC000059211907 193891668 /nfs/dbraw/zinc/89/16/68/193891668.db2.gz AVHBPFJWKIPMBJ-UHFFFAOYSA-N 1 0 569.764 4.945 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000059735399 554427271 /nfs/dbraw/zinc/42/72/71/554427271.db2.gz DHBJEMQHVAREIO-QHCPKHFHSA-N 1 0 551.665 4.674 50 30 KJEARO CCOC(=O)c1sc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)C[N@H+](C)CC3)c(C#N)c1C ZINC000059749802 554427958 /nfs/dbraw/zinc/42/79/58/554427958.db2.gz XFCOWNKOYMCEDP-UHFFFAOYSA-N 1 0 537.692 4.819 50 30 KJEARO CCOC(=O)CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000063416454 554508652 /nfs/dbraw/zinc/50/86/52/554508652.db2.gz ZRNLCPJPMZFEDH-FMIVXFBMSA-N 1 0 507.638 4.999 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000070672427 553602001 /nfs/dbraw/zinc/60/20/01/553602001.db2.gz WEWYRAGVHGPOHY-AREMUKBSSA-N 1 0 540.657 4.586 50 30 biogenic KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000070672430 553601993 /nfs/dbraw/zinc/60/19/93/553601993.db2.gz WEWYRAGVHGPOHY-SANMLTNESA-N 1 0 540.657 4.586 50 30 biogenic KJEARO C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000070673140 553603470 /nfs/dbraw/zinc/60/34/70/553603470.db2.gz COFAEEGTGWXAFK-XWMGKOEESA-N 1 0 500.683 4.919 50 30 biogenic KJEARO CC1CCCC2(C)CC3OC(=O)C(CN4CC[NH+](C(c5ccccc5)c5ccccc5)CC4)C3C3OC312 ZINC000070673141 553603501 /nfs/dbraw/zinc/60/35/01/553603501.db2.gz COFAEEGTGWXAFK-YQMCTPDCSA-N 1 0 500.683 4.919 50 30 biogenic KJEARO C[C@@H]1CC[C@H]2[C@H](C[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000070687144 553606178 /nfs/dbraw/zinc/60/61/78/553606178.db2.gz UDWSBTVGDHQAFN-AKIYBFTHSA-N 1 0 500.683 4.919 50 30 biogenic KJEARO C[C@@H]1CC[C@H]2[C@@H](C[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000070687149 553606123 /nfs/dbraw/zinc/60/61/23/553606123.db2.gz UDWSBTVGDHQAFN-PUIPNONKSA-N 1 0 500.683 4.919 50 30 biogenic KJEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[N@@H+](CCCN4CCOCC4)Cc4cccc(OC)c4OC)[C@H]3C[C@@H]12 ZINC000070687631 553607237 /nfs/dbraw/zinc/60/72/37/553607237.db2.gz VPSXFBMPWJDTHT-SNBXZQQPSA-N 1 0 526.718 4.542 50 30 biogenic KJEARO C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](C[N@@H+](CCCN4CCOCC4)Cc4cccc(OC)c4OC)[C@H]3C[C@@H]12 ZINC000070687634 553607248 /nfs/dbraw/zinc/60/72/48/553607248.db2.gz VPSXFBMPWJDTHT-ZPELVRFXSA-N 1 0 526.718 4.542 50 30 biogenic KJEARO C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cccc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699387 553616208 /nfs/dbraw/zinc/61/62/08/553616208.db2.gz BRCCUTUVELOBDM-BANVDVKSSA-N 1 0 519.601 4.574 50 30 biogenic KJEARO C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)cc(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699582 553616506 /nfs/dbraw/zinc/61/65/06/553616506.db2.gz KTHGDBLDVJROAR-MRPYTORDSA-N 1 0 533.628 4.883 50 30 biogenic KJEARO C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(C)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070699656 553616853 /nfs/dbraw/zinc/61/68/53/553616853.db2.gz WRGFPLVBLFARJT-NFLLHDQJSA-N 1 0 519.601 4.574 50 30 biogenic KJEARO C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cc(CC)ccc4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070700001 553617445 /nfs/dbraw/zinc/61/74/45/553617445.db2.gz TXAGLVXTQFTYFW-RQGZQSEYSA-N 1 0 533.628 4.828 50 30 biogenic KJEARO C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4ccc(C)c(C)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070700505 553618609 /nfs/dbraw/zinc/61/86/09/553618609.db2.gz HRFDTPHPFBUNJH-MRPYTORDSA-N 1 0 533.628 4.883 50 30 biogenic KJEARO C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3cc(CC)ccc3NC2=O)[C@]12c1ccccc1NC2=O ZINC000070700924 553620085 /nfs/dbraw/zinc/62/00/85/553620085.db2.gz OFKFDNIGQZJZCY-STLAOJHMSA-N 1 0 533.628 4.828 50 30 biogenic KJEARO C=CCOc1cccc(C(=O)[C@@H]2[C@@H]3CCC[N@H+]3[C@@]3(c4cccc(CC)c4NC3=O)[C@]23c2ccccc2NC3=O)c1 ZINC000070701127 553620880 /nfs/dbraw/zinc/62/08/80/553620880.db2.gz HYERLUJLSOJFAX-MRPYTORDSA-N 1 0 533.628 4.828 50 30 biogenic KJEARO C=CCOc1ccccc1C(=O)[C@@H]1[C@@H]2CCC[N@H+]2[C@@]2(c3cc(C)cc(C)c3NC2=O)[C@]12c1ccccc1NC2=O ZINC000070701158 553620850 /nfs/dbraw/zinc/62/08/50/553620850.db2.gz BESOFPWRKYKTTO-OTJXKMDISA-N 1 0 533.628 4.883 50 30 biogenic KJEARO C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)NC[C@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000072103481 553640393 /nfs/dbraw/zinc/64/03/93/553640393.db2.gz QNUIJOKKGPBZFB-MUUNZHRXSA-N 1 0 549.693 4.652 50 30 KJEARO C=CCN(c1ccccc1OC)S(=O)(=O)c1cccc(C(=O)NC[C@@H](c2ccc(OC)cc2)[NH+]2CCCC2)c1 ZINC000072103482 553640303 /nfs/dbraw/zinc/64/03/03/553640303.db2.gz QNUIJOKKGPBZFB-NDEPHWFRSA-N 1 0 549.693 4.652 50 30 KJEARO COc1ccc([C@]2(CCNC(=O)CCC(=O)OCC(=O)[C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000079216723 553670929 /nfs/dbraw/zinc/67/09/29/553670929.db2.gz OMUYNHPTGXLOKQ-FYNDMYCPSA-N 1 0 720.948 4.926 50 30 biogenic KJEARO COc1ccc([C@]2(CCNC(=O)CCC(=O)OCC(=O)[C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000079216726 553670954 /nfs/dbraw/zinc/67/09/54/553670954.db2.gz OMUYNHPTGXLOKQ-XSVHKBHQSA-N 1 0 720.948 4.926 50 30 biogenic KJEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[N@@H+]3CCC[C@@H]3C(O)(c3ccccc3)c3ccccc3)C(=O)O[C@@H]1C2 ZINC000082051414 553673506 /nfs/dbraw/zinc/67/35/06/553673506.db2.gz LQHLZZKYYXMPRY-ZQYIBUKRSA-N 1 0 501.667 4.914 50 30 biogenic KJEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[NH+]1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000085902231 553691116 /nfs/dbraw/zinc/69/11/16/553691116.db2.gz NDMZHFFFMUFVCW-XFAFABORSA-N 1 0 500.683 4.921 50 30 biogenic KJEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)C(=O)O[C@@H]1C2 ZINC000085902232 553691148 /nfs/dbraw/zinc/69/11/48/553691148.db2.gz NDMZHFFFMUFVCW-KIFYEBFYSA-N 1 0 500.683 4.921 50 30 biogenic KJEARO CCc1ccc(C(=O)Nc2cc(CN3CC[NH+](C)CC3)cc(C(F)(F)F)c2)cc1C#Cc1cnc2ccnn2c1 ZINC000095586627 553705400 /nfs/dbraw/zinc/70/54/00/553705400.db2.gz DDLPXZXBWGJRGK-UHFFFAOYSA-N 1 0 546.597 4.710 50 30 KJEARO Cc1ccc(C(=O)Nc2ccc(CN3CC[NH+](C)CC3)c(C(F)(F)F)c2)cc1C#Cc1cnc2n[nH]cc2c1 ZINC000095594040 553705482 /nfs/dbraw/zinc/70/54/82/553705482.db2.gz TZKBVRDEOITLRB-UHFFFAOYSA-N 1 0 532.570 4.685 50 30 in-vitro KJEARO CCOC(=O)c1sc(NC(=O)CSc2nc3c(c(-c4ccsc4)c2C#N)C[N@H+](C)CC3)c(C#N)c1C ZINC000097940204 553763827 /nfs/dbraw/zinc/76/38/27/553763827.db2.gz LXDYZMNYTWASLK-UHFFFAOYSA-N 1 0 537.692 4.819 50 30 KJEARO Cc1ccc(CN2C(=O)/C(=C/c3c(C)c(C#N)c(=O)n(C)c3N3CC[NH+](Cc4ccccc4)CC3)SC2=S)cc1 ZINC000097947516 553786839 /nfs/dbraw/zinc/78/68/39/553786839.db2.gz HIKFZZWMKUJMFU-PKAZHMFMSA-N 1 0 569.756 4.597 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097951312 553808072 /nfs/dbraw/zinc/80/80/72/553808072.db2.gz JAAAHQVHRCYMEL-AREMUKBSSA-N 1 0 540.657 4.730 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097951313 553808067 /nfs/dbraw/zinc/80/80/67/553808067.db2.gz JAAAHQVHRCYMEL-SANMLTNESA-N 1 0 540.657 4.730 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000097951536 553809659 /nfs/dbraw/zinc/80/96/59/553809659.db2.gz JEQSHAXTBBGIER-AREMUKBSSA-N 1 0 540.657 4.586 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000097951537 553809680 /nfs/dbraw/zinc/80/96/80/553809680.db2.gz JEQSHAXTBBGIER-SANMLTNESA-N 1 0 540.657 4.586 50 30 KJEARO COC[C@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097951924 553812038 /nfs/dbraw/zinc/81/20/38/553812038.db2.gz IPNCWLSQWJYYSH-OZXSUGGESA-N 1 0 535.648 4.727 50 30 KJEARO COC[C@@H](C)OC(=O)[C@@H](C#N)c1nc2ccccc2nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097951925 553812012 /nfs/dbraw/zinc/81/20/12/553812012.db2.gz IPNCWLSQWJYYSH-BVAGGSTKSA-N 1 0 535.648 4.727 50 30 KJEARO COC[C@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097951926 553812029 /nfs/dbraw/zinc/81/20/29/553812029.db2.gz IPNCWLSQWJYYSH-JYFHCDHNSA-N 1 0 535.648 4.727 50 30 KJEARO COC[C@@H](C)OC(=O)[C@H](C#N)c1nc2ccccc2nc1N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000097951927 553812063 /nfs/dbraw/zinc/81/20/63/553812063.db2.gz IPNCWLSQWJYYSH-ZEQKJWHPSA-N 1 0 535.648 4.727 50 30 KJEARO COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000097952413 553815688 /nfs/dbraw/zinc/81/56/88/553815688.db2.gz NYAGQZNOGMQMBJ-MUUNZHRXSA-N 1 0 542.632 4.891 50 30 KJEARO COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000097952414 553815683 /nfs/dbraw/zinc/81/56/83/553815683.db2.gz NYAGQZNOGMQMBJ-NDEPHWFRSA-N 1 0 542.632 4.891 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000097952959 553818125 /nfs/dbraw/zinc/81/81/25/553818125.db2.gz ZCVGWISOGWFWMU-HHHXNRCGSA-N 1 0 538.641 4.565 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000097952960 553818230 /nfs/dbraw/zinc/81/82/30/553818230.db2.gz ZCVGWISOGWFWMU-MHZLTWQESA-N 1 0 538.641 4.565 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000097952993 553818418 /nfs/dbraw/zinc/81/84/18/553818418.db2.gz VCSOWIIPYOECMX-HHHXNRCGSA-N 1 0 538.641 4.565 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000097952994 553818530 /nfs/dbraw/zinc/81/85/30/553818530.db2.gz VCSOWIIPYOECMX-MHZLTWQESA-N 1 0 538.641 4.565 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000097953993 553820506 /nfs/dbraw/zinc/82/05/06/553820506.db2.gz UVTJEJVHJDLGQB-HHHXNRCGSA-N 1 0 538.641 4.565 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000097953994 553820702 /nfs/dbraw/zinc/82/07/02/553820702.db2.gz UVTJEJVHJDLGQB-MHZLTWQESA-N 1 0 538.641 4.565 50 30 KJEARO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000097956678 553840802 /nfs/dbraw/zinc/84/08/02/553840802.db2.gz ZKNFWNXUZJSJNH-HHHXNRCGSA-N 1 0 538.641 4.565 50 30 KJEARO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000097956679 553840815 /nfs/dbraw/zinc/84/08/15/553840815.db2.gz ZKNFWNXUZJSJNH-MHZLTWQESA-N 1 0 538.641 4.565 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(F)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097957014 553843915 /nfs/dbraw/zinc/84/39/15/553843915.db2.gz COJKDBKLDFWFOQ-AREMUKBSSA-N 1 0 558.647 4.949 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(F)c2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097957015 553843860 /nfs/dbraw/zinc/84/38/60/553843860.db2.gz COJKDBKLDFWFOQ-SANMLTNESA-N 1 0 558.647 4.949 50 30 KJEARO C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)[NH2+]C3(C)C)cc1 ZINC000097963596 553892134 /nfs/dbraw/zinc/89/21/34/553892134.db2.gz VYMISTMQGTXYBN-UHFFFAOYSA-N 1 0 545.727 4.699 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000097967115 553913840 /nfs/dbraw/zinc/91/38/40/553913840.db2.gz NCUAZWGHHQXGPV-UPCLLVRISA-N 1 0 573.484 4.797 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000097967116 553913975 /nfs/dbraw/zinc/91/39/75/553913975.db2.gz NCUAZWGHHQXGPV-VOIUYBSRSA-N 1 0 573.484 4.797 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000097967117 553913933 /nfs/dbraw/zinc/91/39/33/553913933.db2.gz NCUAZWGHHQXGPV-GYCJOSAFSA-N 1 0 573.484 4.797 50 30 KJEARO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000097967411 553918055 /nfs/dbraw/zinc/91/80/55/553918055.db2.gz DLIFSNOZLJAPIW-MUUNZHRXSA-N 1 0 552.668 4.956 50 30 KJEARO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000097967412 553918155 /nfs/dbraw/zinc/91/81/55/553918155.db2.gz DLIFSNOZLJAPIW-NDEPHWFRSA-N 1 0 552.668 4.956 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097967508 553919388 /nfs/dbraw/zinc/91/93/88/553919388.db2.gz MUPLXAFWXRYVPM-HHHXNRCGSA-N 1 0 554.684 4.976 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097967509 553919478 /nfs/dbraw/zinc/91/94/78/553919478.db2.gz MUPLXAFWXRYVPM-MHZLTWQESA-N 1 0 554.684 4.976 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000097968126 553928001 /nfs/dbraw/zinc/92/80/01/553928001.db2.gz IHLQILTZRHAJPS-GDLZYMKVSA-N 1 0 558.631 4.575 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000097968127 553928023 /nfs/dbraw/zinc/92/80/23/553928023.db2.gz IHLQILTZRHAJPS-LJAQVGFWSA-N 1 0 558.631 4.575 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097968996 553935448 /nfs/dbraw/zinc/93/54/48/553935448.db2.gz HPONGVPFYWXLTE-HHHXNRCGSA-N 1 0 554.684 4.976 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097968997 553935566 /nfs/dbraw/zinc/93/55/66/553935566.db2.gz HPONGVPFYWXLTE-MHZLTWQESA-N 1 0 554.684 4.976 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000097969071 553936206 /nfs/dbraw/zinc/93/62/06/553936206.db2.gz XIKRUKHTIURYBM-NDEPHWFRSA-N 1 0 560.647 4.740 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000097969072 553936231 /nfs/dbraw/zinc/93/62/31/553936231.db2.gz XIKRUKHTIURYBM-MUUNZHRXSA-N 1 0 560.647 4.740 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000097969323 553939599 /nfs/dbraw/zinc/93/95/99/553939599.db2.gz CWNDHERXICVXST-MUUNZHRXSA-N 1 0 552.668 4.956 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000097969324 553939805 /nfs/dbraw/zinc/93/98/05/553939805.db2.gz CWNDHERXICVXST-NDEPHWFRSA-N 1 0 552.668 4.956 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)ccc1OCCC(C)C ZINC000097970007 553948263 /nfs/dbraw/zinc/94/82/63/553948263.db2.gz MIHNDVISSRTEIB-MUUNZHRXSA-N 1 0 552.668 4.811 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)ccc1OCCC(C)C ZINC000097970008 553948201 /nfs/dbraw/zinc/94/82/01/553948201.db2.gz MIHNDVISSRTEIB-NDEPHWFRSA-N 1 0 552.668 4.811 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000097970077 553949108 /nfs/dbraw/zinc/94/91/08/553949108.db2.gz HTHCDVWJVOLOBM-MUUNZHRXSA-N 1 0 550.652 4.732 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000097970078 553949010 /nfs/dbraw/zinc/94/90/10/553949010.db2.gz HTHCDVWJVOLOBM-NDEPHWFRSA-N 1 0 550.652 4.732 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)ccc1OCc1ccccc1 ZINC000097970339 553952836 /nfs/dbraw/zinc/95/28/36/553952836.db2.gz CMDAHZJEZSCKFA-SSEXGKCCSA-N 1 0 572.658 4.966 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)ccc1OCc1ccccc1 ZINC000097970340 553952990 /nfs/dbraw/zinc/95/29/90/553952990.db2.gz CMDAHZJEZSCKFA-PMERELPUSA-N 1 0 572.658 4.966 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000097970517 553955087 /nfs/dbraw/zinc/95/50/87/553955087.db2.gz DQTYKQJJCAEBJU-MUUNZHRXSA-N 1 0 552.668 4.956 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000097970518 553955636 /nfs/dbraw/zinc/95/56/36/553955636.db2.gz DQTYKQJJCAEBJU-NDEPHWFRSA-N 1 0 552.668 4.956 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000097970523 553955604 /nfs/dbraw/zinc/95/56/04/553955604.db2.gz MOBQHTMDBGDFHA-MUUNZHRXSA-N 1 0 552.668 4.956 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000097970524 553955452 /nfs/dbraw/zinc/95/54/52/553955452.db2.gz MOBQHTMDBGDFHA-NDEPHWFRSA-N 1 0 552.668 4.956 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000097970905 553959231 /nfs/dbraw/zinc/95/92/31/553959231.db2.gz PMLXPJLYJZNQQS-NDEPHWFRSA-N 1 0 560.647 4.740 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000097970906 553959210 /nfs/dbraw/zinc/95/92/10/553959210.db2.gz PMLXPJLYJZNQQS-MUUNZHRXSA-N 1 0 560.647 4.740 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000097971006 553960297 /nfs/dbraw/zinc/96/02/97/553960297.db2.gz JVLMXFKVWSKERG-NDEPHWFRSA-N 1 0 560.647 4.740 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000097971007 553960315 /nfs/dbraw/zinc/96/03/15/553960315.db2.gz JVLMXFKVWSKERG-MUUNZHRXSA-N 1 0 560.647 4.740 50 30 KJEARO CCOc1ccc(CCNC(=O)[C@@H](C#N)c2nc3ccccc3nc2N2CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000098000337 554050183 /nfs/dbraw/zinc/05/01/83/554050183.db2.gz CIHQOEUFNNCSCC-MHZLTWQESA-N 1 0 578.717 4.715 50 30 KJEARO CCOc1ccc(CCNC(=O)[C@H](C#N)c2nc3ccccc3nc2N2CC[NH+](Cc3ccccc3)CC2)cc1OCC ZINC000098000338 554050224 /nfs/dbraw/zinc/05/02/24/554050224.db2.gz CIHQOEUFNNCSCC-HHHXNRCGSA-N 1 0 578.717 4.715 50 30 KJEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046408 554138647 /nfs/dbraw/zinc/13/86/47/554138647.db2.gz BEUIGHUMRYSMCZ-MUUNZHRXSA-N 1 0 548.611 4.952 50 30 KJEARO COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046409 554138586 /nfs/dbraw/zinc/13/85/86/554138586.db2.gz BEUIGHUMRYSMCZ-NDEPHWFRSA-N 1 0 548.611 4.952 50 30 KJEARO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000098046559 554140710 /nfs/dbraw/zinc/14/07/10/554140710.db2.gz OSDKKHMLQZKLTN-MUUNZHRXSA-N 1 0 552.668 4.956 50 30 KJEARO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000098046560 554140611 /nfs/dbraw/zinc/14/06/11/554140611.db2.gz OSDKKHMLQZKLTN-NDEPHWFRSA-N 1 0 552.668 4.956 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000098046561 554140575 /nfs/dbraw/zinc/14/05/75/554140575.db2.gz IZSDCFILLJWFCE-MUUNZHRXSA-N 1 0 552.668 4.811 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000098046562 554140858 /nfs/dbraw/zinc/14/08/58/554140858.db2.gz IZSDCFILLJWFCE-NDEPHWFRSA-N 1 0 552.668 4.811 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000098046563 554140550 /nfs/dbraw/zinc/14/05/50/554140550.db2.gz JWGXLWVAKSGOCF-HHHXNRCGSA-N 1 0 538.641 4.565 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OC ZINC000098046564 554140653 /nfs/dbraw/zinc/14/06/53/554140653.db2.gz JWGXLWVAKSGOCF-MHZLTWQESA-N 1 0 538.641 4.565 50 30 KJEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000098047188 554147629 /nfs/dbraw/zinc/14/76/29/554147629.db2.gz UQACOLVUVRVFSR-HSZRJFAPSA-N 1 0 559.457 4.648 50 30 KJEARO C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2cc(Br)c(O)c(OC)c2)cc1 ZINC000098047189 554147730 /nfs/dbraw/zinc/14/77/30/554147730.db2.gz UQACOLVUVRVFSR-QHCPKHFHSA-N 1 0 559.457 4.648 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OCCOc3ccccc3C)cc2)cc1 ZINC000098047211 554148008 /nfs/dbraw/zinc/14/80/08/554148008.db2.gz YVHICNILRDASBF-GDLZYMKVSA-N 1 0 544.648 4.991 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OCCOc3ccccc3C)cc2)cc1 ZINC000098047212 554147985 /nfs/dbraw/zinc/14/79/85/554147985.db2.gz YVHICNILRDASBF-LJAQVGFWSA-N 1 0 544.648 4.991 50 30 KJEARO CCOc1cccc(N2C(=O)C[C@H](SC(=NCCc3ccc(OC)c(OC)c3)Nc3ccccc3)C2=O)c1 ZINC000100062855 554199260 /nfs/dbraw/zinc/19/92/60/554199260.db2.gz RQHBLTIHDWFVIU-SANMLTNESA-N 1 0 533.650 4.988 50 30 KJEARO C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H]([NH3+])C(C)C)[C@]2(C)[C@@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000100165755 554236533 /nfs/dbraw/zinc/23/65/33/554236533.db2.gz LLYYNOVSVPBRGV-NJCOPAAKSA-N 1 0 564.833 4.504 50 30 KJEARO CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CC[NH+](Cc3ccccc3)CC2)SC1=S ZINC000100912980 554518575 /nfs/dbraw/zinc/51/85/75/554518575.db2.gz YNDZWEBLWTUDOU-BWAHOGKJSA-N 1 0 549.766 4.669 50 30 KJEARO C=CCN(C(=O)c1ccccc1I)C1(C(=O)Nc2ccccc2)CC[NH+](C(C)C)CC1 ZINC000100982802 554547933 /nfs/dbraw/zinc/54/79/33/554547933.db2.gz LLQXOAGFOUFGQU-UHFFFAOYSA-N 1 0 531.438 4.801 50 30 KJEARO Cc1c(CCOC(=O)c2cc([N+](=O)[O-])ccc2Cl)sc[n+]1CC(=O)c1ccc(Br)cc1 ZINC000101065217 554572904 /nfs/dbraw/zinc/57/29/04/554572904.db2.gz UEILQBHXCAHYFW-UHFFFAOYSA-N 1 0 524.800 4.951 50 30 KJEARO C=CCN1C(=O)N[C@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000101236938 554691503 /nfs/dbraw/zinc/69/15/03/554691503.db2.gz YPUFUDGCYFJITO-AREMUKBSSA-N 1 0 543.495 4.881 50 30 KJEARO C=CCN1C(=O)N[C@@H](c2ccc(Cl)cc2Cl)C(C(=O)OCC)=C1CN1CC[NH+](Cc2ccccc2)CC1 ZINC000101236941 554691463 /nfs/dbraw/zinc/69/14/63/554691463.db2.gz YPUFUDGCYFJITO-SANMLTNESA-N 1 0 543.495 4.881 50 30 KJEARO C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000101310443 554718156 /nfs/dbraw/zinc/71/81/56/554718156.db2.gz JZZKISBBASODSU-DFXXOVSGSA-N 1 0 550.652 4.575 50 30 KJEARO C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000101310444 554718152 /nfs/dbraw/zinc/71/81/52/554718152.db2.gz JZZKISBBASODSU-TXTDGAROSA-N 1 0 550.652 4.575 50 30 KJEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000101313770 554722228 /nfs/dbraw/zinc/72/22/28/554722228.db2.gz NYUHTGCYKBUTJC-VDLDRNGKSA-N 1 0 504.627 4.728 50 30 KJEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000101313774 554722436 /nfs/dbraw/zinc/72/24/36/554722436.db2.gz NYUHTGCYKBUTJC-PMABHTPKSA-N 1 0 504.627 4.728 50 30 KJEARO C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000101313778 554722416 /nfs/dbraw/zinc/72/24/16/554722416.db2.gz NYUHTGCYKBUTJC-MNEKTFPPSA-N 1 0 504.627 4.728 50 30 KJEARO C=CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000101313781 554722397 /nfs/dbraw/zinc/72/23/97/554722397.db2.gz NYUHTGCYKBUTJC-HGZLRSGXSA-N 1 0 504.627 4.728 50 30 KJEARO C=CCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2cccc(Cl)c2)C1 ZINC000101320165 554727946 /nfs/dbraw/zinc/72/79/46/554727946.db2.gz RONFKITXNOELHM-SXOMAYOGSA-N 1 0 548.083 4.725 50 30 KJEARO C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2ccc(Cl)cc2)C1 ZINC000101320179 1066205573 /nfs/dbraw/zinc/20/55/73/1066205573.db2.gz QYINLPAHBFKDHL-SVBPBHIXSA-N 1 0 548.083 4.725 50 30 KJEARO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102076608 554874766 /nfs/dbraw/zinc/87/47/66/554874766.db2.gz DJCKWENRKWZTSS-HGZLRSGXSA-N 1 0 506.643 4.808 50 30 KJEARO CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102076613 554874821 /nfs/dbraw/zinc/87/48/21/554874821.db2.gz DJCKWENRKWZTSS-PMABHTPKSA-N 1 0 506.643 4.808 50 30 KJEARO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102076616 554874854 /nfs/dbraw/zinc/87/48/54/554874854.db2.gz DJCKWENRKWZTSS-MNEKTFPPSA-N 1 0 506.643 4.808 50 30 KJEARO CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102076619 554874824 /nfs/dbraw/zinc/87/48/24/554874824.db2.gz DJCKWENRKWZTSS-VDLDRNGKSA-N 1 0 506.643 4.808 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000102175207 554891877 /nfs/dbraw/zinc/89/18/77/554891877.db2.gz VRKVOUHHVAJZEQ-AYWGPLOBSA-N 1 0 515.448 4.776 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)ccc1OCC(C)C ZINC000102175212 554891991 /nfs/dbraw/zinc/89/19/91/554891991.db2.gz VRKVOUHHVAJZEQ-ZHHPLPSFSA-N 1 0 515.448 4.776 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000102175431 554891923 /nfs/dbraw/zinc/89/19/23/554891923.db2.gz MPVLIPAMHMZCGK-AYWGPLOBSA-N 1 0 515.448 4.776 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C ZINC000102175436 554891882 /nfs/dbraw/zinc/89/18/82/554891882.db2.gz MPVLIPAMHMZCGK-ZHHPLPSFSA-N 1 0 515.448 4.776 50 30 KJEARO C/C(=N\NC(N)=[NH2+])[C@@H](C[NH+](CC(C)C)CC(C)C)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000102308911 554909460 /nfs/dbraw/zinc/90/94/60/554909460.db2.gz WUXKBQSQNLFGIO-OBKMEOAUSA-N 1 0 505.663 4.720 50 30 KJEARO C/C(=N\NC(N)=[NH2+])[C@H](C[NH+](CC(C)C)CC(C)C)[C@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000102308916 554909491 /nfs/dbraw/zinc/90/94/91/554909491.db2.gz WUXKBQSQNLFGIO-JOUCSPNESA-N 1 0 505.663 4.720 50 30 KJEARO C=CCn1c(C)cc(C(=O)COc2ccccc2C(=O)NCC[N+](C)(C)CC(=O)c2cc(C)n(CC=C)c2C)c1C ZINC000102342804 554913353 /nfs/dbraw/zinc/91/33/53/554913353.db2.gz LWRHKSLKLRSLJH-UHFFFAOYSA-O 1 0 559.731 4.846 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000102482539 554937366 /nfs/dbraw/zinc/93/73/66/554937366.db2.gz NFZPEEZJRDTTHQ-CJJGVWJISA-N 1 0 510.631 4.508 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000102482548 554937332 /nfs/dbraw/zinc/93/73/32/554937332.db2.gz NFZPEEZJRDTTHQ-CZNAVJSXSA-N 1 0 510.631 4.508 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102482789 554937438 /nfs/dbraw/zinc/93/74/38/554937438.db2.gz SOQASOXRGFGLHO-ONQGDUAMSA-N 1 0 524.658 4.955 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102482797 554937403 /nfs/dbraw/zinc/93/74/03/554937403.db2.gz SOQASOXRGFGLHO-UUALVTFQSA-N 1 0 524.658 4.955 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102483749 554937741 /nfs/dbraw/zinc/93/77/41/554937741.db2.gz HTNAPMCPODMODL-ONQGDUAMSA-N 1 0 529.593 4.856 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102483757 554937585 /nfs/dbraw/zinc/93/75/85/554937585.db2.gz HTNAPMCPODMODL-UUALVTFQSA-N 1 0 529.593 4.856 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102484435 554937872 /nfs/dbraw/zinc/93/78/72/554937872.db2.gz IAJSXMZPZKZYPG-UUALVTFQSA-N 1 0 524.658 4.811 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102484443 554937965 /nfs/dbraw/zinc/93/79/65/554937965.db2.gz IAJSXMZPZKZYPG-ONQGDUAMSA-N 1 0 524.658 4.811 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102485496 554938213 /nfs/dbraw/zinc/93/82/13/554938213.db2.gz IDJKELFTHUARID-TXTDGAROSA-N 1 0 530.621 4.575 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102485504 554938292 /nfs/dbraw/zinc/93/82/92/554938292.db2.gz IDJKELFTHUARID-DFXXOVSGSA-N 1 0 530.621 4.575 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102491218 554939339 /nfs/dbraw/zinc/93/93/39/554939339.db2.gz UTBJGPFKCNDDTJ-MIOXIQPJSA-N 1 0 544.648 4.965 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102491226 554939433 /nfs/dbraw/zinc/93/94/33/554939433.db2.gz UTBJGPFKCNDDTJ-WGGXKBPPSA-N 1 0 544.648 4.965 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000102491932 554939675 /nfs/dbraw/zinc/93/96/75/554939675.db2.gz KORCUPYEGQORGU-AYWGPLOBSA-N 1 0 515.448 4.920 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000102491940 554939605 /nfs/dbraw/zinc/93/96/05/554939605.db2.gz KORCUPYEGQORGU-ZHHPLPSFSA-N 1 0 515.448 4.920 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102492174 554939663 /nfs/dbraw/zinc/93/96/63/554939663.db2.gz PLDOSMUXLZDFJC-NPJIAGGLSA-N 1 0 509.603 4.702 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102492184 554939703 /nfs/dbraw/zinc/93/97/03/554939703.db2.gz PLDOSMUXLZDFJC-IUKMQXEJSA-N 1 0 509.603 4.702 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(Br)c1 ZINC000102493543 554939611 /nfs/dbraw/zinc/93/96/11/554939611.db2.gz NRJUMSTXILLAMH-HOGKFDNTSA-N 1 0 527.415 4.967 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(Br)c1 ZINC000102493552 554939688 /nfs/dbraw/zinc/93/96/88/554939688.db2.gz NRJUMSTXILLAMH-MOBKVPTQSA-N 1 0 527.415 4.967 50 30 KJEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000102496422 554940786 /nfs/dbraw/zinc/94/07/86/554940786.db2.gz ZYUCYDPCRSRNMG-CZNAVJSXSA-N 1 0 500.643 4.852 50 30 KJEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000102496431 554940836 /nfs/dbraw/zinc/94/08/36/554940836.db2.gz ZYUCYDPCRSRNMG-CJJGVWJISA-N 1 0 500.643 4.852 50 30 KJEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1 ZINC000102499077 554941614 /nfs/dbraw/zinc/94/16/14/554941614.db2.gz WRPXCARELIFSRK-AYWGPLOBSA-N 1 0 513.425 4.861 50 30 KJEARO Cc1c(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1 ZINC000102499087 554941549 /nfs/dbraw/zinc/94/15/49/554941549.db2.gz WRPXCARELIFSRK-ZHHPLPSFSA-N 1 0 513.425 4.861 50 30 KJEARO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(O)c2)cc1 ZINC000102500624 554942839 /nfs/dbraw/zinc/94/28/39/554942839.db2.gz KFULOSADZRQDPO-ONQGDUAMSA-N 1 0 500.595 4.653 50 30 KJEARO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(O)c2)cc1 ZINC000102500632 554942887 /nfs/dbraw/zinc/94/28/87/554942887.db2.gz KFULOSADZRQDPO-UUALVTFQSA-N 1 0 500.595 4.653 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000102500994 554943179 /nfs/dbraw/zinc/94/31/79/554943179.db2.gz JJLJSUHKTWNCIJ-TXTDGAROSA-N 1 0 530.621 4.662 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000102501002 554943136 /nfs/dbraw/zinc/94/31/36/554943136.db2.gz JJLJSUHKTWNCIJ-DFXXOVSGSA-N 1 0 530.621 4.662 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102502226 554943340 /nfs/dbraw/zinc/94/33/40/554943340.db2.gz UQDVHNHUBNOYMD-UUALVTFQSA-N 1 0 518.585 4.575 50 30 KJEARO Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102502236 554943448 /nfs/dbraw/zinc/94/34/48/554943448.db2.gz UQDVHNHUBNOYMD-ONQGDUAMSA-N 1 0 518.585 4.575 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102503117 554944029 /nfs/dbraw/zinc/94/40/29/554944029.db2.gz SSECTRJYZHUEPD-HOGKFDNTSA-N 1 0 501.421 4.611 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102503126 554943964 /nfs/dbraw/zinc/94/39/64/554943964.db2.gz SSECTRJYZHUEPD-MOBKVPTQSA-N 1 0 501.421 4.611 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000102504490 554944365 /nfs/dbraw/zinc/94/43/65/554944365.db2.gz LDHCZOOVTUREDF-TXTDGAROSA-N 1 0 530.621 4.662 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000102504499 554944286 /nfs/dbraw/zinc/94/42/86/554944286.db2.gz LDHCZOOVTUREDF-DFXXOVSGSA-N 1 0 530.621 4.662 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000102508483 554945531 /nfs/dbraw/zinc/94/55/31/554945531.db2.gz OPTNHPVOKHLVHH-MIOXIQPJSA-N 1 0 574.674 4.973 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000102508493 554945449 /nfs/dbraw/zinc/94/54/49/554945449.db2.gz OPTNHPVOKHLVHH-WGGXKBPPSA-N 1 0 574.674 4.973 50 30 KJEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102509244 554945634 /nfs/dbraw/zinc/94/56/34/554945634.db2.gz RMYCTNOUQIZNDH-HOGKFDNTSA-N 1 0 501.421 4.611 50 30 KJEARO CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102509250 554945741 /nfs/dbraw/zinc/94/57/41/554945741.db2.gz RMYCTNOUQIZNDH-MOBKVPTQSA-N 1 0 501.421 4.611 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102509615 554945974 /nfs/dbraw/zinc/94/59/74/554945974.db2.gz RMQYZFKVDHCYOO-IUKMQXEJSA-N 1 0 509.603 4.846 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102509625 554946059 /nfs/dbraw/zinc/94/60/59/554946059.db2.gz RMQYZFKVDHCYOO-NPJIAGGLSA-N 1 0 509.603 4.846 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(O)cc1 ZINC000102512528 554947003 /nfs/dbraw/zinc/94/70/03/554947003.db2.gz RXAKAOASAGEUOS-ONQGDUAMSA-N 1 0 500.595 4.653 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(O)cc1 ZINC000102512540 554946961 /nfs/dbraw/zinc/94/69/61/554946961.db2.gz RXAKAOASAGEUOS-UUALVTFQSA-N 1 0 500.595 4.653 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000102512770 554946989 /nfs/dbraw/zinc/94/69/89/554946989.db2.gz UPNKOZCSENFQRJ-NPJIAGGLSA-N 1 0 561.075 4.918 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1Cl ZINC000102512781 554946999 /nfs/dbraw/zinc/94/69/99/554946999.db2.gz UPNKOZCSENFQRJ-IUKMQXEJSA-N 1 0 561.075 4.918 50 30 KJEARO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000102514416 554947646 /nfs/dbraw/zinc/94/76/46/554947646.db2.gz LLLHYQMYSVBQQX-ONQGDUAMSA-N 1 0 500.595 4.653 50 30 KJEARO Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102514426 554947625 /nfs/dbraw/zinc/94/76/25/554947625.db2.gz LLLHYQMYSVBQQX-UUALVTFQSA-N 1 0 500.595 4.653 50 30 KJEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000102516881 554948244 /nfs/dbraw/zinc/94/82/44/554948244.db2.gz KWNMHVMYSONOAE-VDLDRNGKSA-N 1 0 506.643 4.952 50 30 KJEARO CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000102516889 554948235 /nfs/dbraw/zinc/94/82/35/554948235.db2.gz KWNMHVMYSONOAE-PMABHTPKSA-N 1 0 506.643 4.952 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000102517017 554948212 /nfs/dbraw/zinc/94/82/12/554948212.db2.gz MNNSTQIAJNKKBZ-CZNAVJSXSA-N 1 0 510.631 4.652 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000102517026 554948204 /nfs/dbraw/zinc/94/82/04/554948204.db2.gz MNNSTQIAJNKKBZ-CJJGVWJISA-N 1 0 510.631 4.652 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2cccc(OC)c2OC)cc1Cl ZINC000102517211 554948200 /nfs/dbraw/zinc/94/82/00/554948200.db2.gz CRTDTSSTYDZRLW-SBXHHDGASA-N 1 0 531.049 4.910 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@H]2c2cccc(OC)c2OC)cc1Cl ZINC000102517218 554948263 /nfs/dbraw/zinc/94/82/63/554948263.db2.gz CRTDTSSTYDZRLW-NXLSWJSLSA-N 1 0 531.049 4.910 50 30 KJEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(Br)c1 ZINC000102517312 554948471 /nfs/dbraw/zinc/94/84/71/554948471.db2.gz HQVKHBXRSVJERE-LFVOPCPISA-N 1 0 522.237 4.585 50 30 KJEARO C[NH+](C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(Br)c1 ZINC000102517322 554948496 /nfs/dbraw/zinc/94/84/96/554948496.db2.gz HQVKHBXRSVJERE-WOOAAIBNSA-N 1 0 522.237 4.585 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000102518931 554948971 /nfs/dbraw/zinc/94/89/71/554948971.db2.gz BLWDNBUPJMLNIT-CZNAVJSXSA-N 1 0 540.657 4.573 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000102518940 554949076 /nfs/dbraw/zinc/94/90/76/554949076.db2.gz BLWDNBUPJMLNIT-CJJGVWJISA-N 1 0 540.657 4.573 50 30 KJEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102523892 554950676 /nfs/dbraw/zinc/95/06/76/554950676.db2.gz SCJYKCMXCMHZPV-ZHJYXLETSA-N 1 0 526.633 4.962 50 30 KJEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102523900 554950702 /nfs/dbraw/zinc/95/07/02/554950702.db2.gz SCJYKCMXCMHZPV-MNOIWJKESA-N 1 0 526.633 4.962 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102524934 554951662 /nfs/dbraw/zinc/95/16/62/554951662.db2.gz SENSPWBXCLAQMO-TXTDGAROSA-N 1 0 530.621 4.575 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102524941 554951583 /nfs/dbraw/zinc/95/15/83/554951583.db2.gz SENSPWBXCLAQMO-DFXXOVSGSA-N 1 0 530.621 4.575 50 30 KJEARO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102525977 554951899 /nfs/dbraw/zinc/95/18/99/554951899.db2.gz WNZYLEOHGMPFEH-VDLDRNGKSA-N 1 0 506.643 4.952 50 30 KJEARO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102525983 554951864 /nfs/dbraw/zinc/95/18/64/554951864.db2.gz WNZYLEOHGMPFEH-PMABHTPKSA-N 1 0 506.643 4.952 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(Br)cc1 ZINC000102529859 554953454 /nfs/dbraw/zinc/95/34/54/554953454.db2.gz IPRNHHLYWRSLRM-HOGKFDNTSA-N 1 0 527.415 4.967 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(Br)cc1 ZINC000102529869 554953463 /nfs/dbraw/zinc/95/34/63/554953463.db2.gz IPRNHHLYWRSLRM-MOBKVPTQSA-N 1 0 527.415 4.967 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102530568 554953708 /nfs/dbraw/zinc/95/37/08/554953708.db2.gz VGKYZPMJTIZSOG-YMMFOPJESA-N 1 0 573.484 4.640 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102530577 554953636 /nfs/dbraw/zinc/95/36/36/554953636.db2.gz VGKYZPMJTIZSOG-CIKQMSCWSA-N 1 0 573.484 4.640 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2cccc(Br)c2)cc1C ZINC000102531625 554954151 /nfs/dbraw/zinc/95/41/51/554954151.db2.gz KXKPFLVJYGCDGJ-AYWGPLOBSA-N 1 0 515.448 4.920 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2cccc(Br)c2)cc1C ZINC000102531632 554954142 /nfs/dbraw/zinc/95/41/42/554954142.db2.gz KXKPFLVJYGCDGJ-ZHHPLPSFSA-N 1 0 515.448 4.920 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000102532285 554954131 /nfs/dbraw/zinc/95/41/31/554954131.db2.gz YUNMIZLYAHYEPY-DFXXOVSGSA-N 1 0 530.621 4.662 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102536966 554955924 /nfs/dbraw/zinc/95/59/24/554955924.db2.gz WZNOOZZLQCNBOH-CZNAVJSXSA-N 1 0 510.631 4.652 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102536972 554955929 /nfs/dbraw/zinc/95/59/29/554955929.db2.gz WZNOOZZLQCNBOH-CJJGVWJISA-N 1 0 510.631 4.652 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(Br)c1 ZINC000102542400 554957868 /nfs/dbraw/zinc/95/78/68/554957868.db2.gz WYJAXBHPDBKLSB-GOBYDPEUSA-N 1 0 527.459 4.926 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(Br)c1 ZINC000102542408 554957874 /nfs/dbraw/zinc/95/78/74/554957874.db2.gz WYJAXBHPDBKLSB-VAGBDARLSA-N 1 0 527.459 4.926 50 30 KJEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OCCOc3ccccc3C)cc2)cc1 ZINC000102543632 554958380 /nfs/dbraw/zinc/95/83/80/554958380.db2.gz JWEGULAZONTTAU-TXTDGAROSA-N 1 0 514.622 4.745 50 30 KJEARO Cc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OCCOc3ccccc3C)cc2)cc1 ZINC000102543639 554958450 /nfs/dbraw/zinc/95/84/50/554958450.db2.gz JWEGULAZONTTAU-DFXXOVSGSA-N 1 0 514.622 4.745 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102550788 554961771 /nfs/dbraw/zinc/96/17/71/554961771.db2.gz YIBYNJNKZQFUDJ-TXTDGAROSA-N 1 0 530.621 4.575 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102550793 554961725 /nfs/dbraw/zinc/96/17/25/554961725.db2.gz YIBYNJNKZQFUDJ-DFXXOVSGSA-N 1 0 530.621 4.575 50 30 KJEARO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102551782 554962287 /nfs/dbraw/zinc/96/22/87/554962287.db2.gz XJWWMMWKADEZRA-DFXXOVSGSA-N 1 0 552.668 4.799 50 30 KJEARO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102551788 554962279 /nfs/dbraw/zinc/96/22/79/554962279.db2.gz XJWWMMWKADEZRA-TXTDGAROSA-N 1 0 552.668 4.799 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102554926 554963704 /nfs/dbraw/zinc/96/37/04/554963704.db2.gz GEPQTTMVCLDEMI-UUALVTFQSA-N 1 0 554.684 4.819 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102554934 554963710 /nfs/dbraw/zinc/96/37/10/554963710.db2.gz GEPQTTMVCLDEMI-ONQGDUAMSA-N 1 0 554.684 4.819 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(F)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102578113 554971740 /nfs/dbraw/zinc/97/17/40/554971740.db2.gz PDHMKXREYSCMJR-CJJGVWJISA-N 1 0 558.647 4.792 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(F)c2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102578119 554971765 /nfs/dbraw/zinc/97/17/65/554971765.db2.gz PDHMKXREYSCMJR-CZNAVJSXSA-N 1 0 558.647 4.792 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000102583654 554972731 /nfs/dbraw/zinc/97/27/31/554972731.db2.gz SKNKQENTEHZHIP-UUALVTFQSA-N 1 0 522.642 4.646 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000102583663 554972810 /nfs/dbraw/zinc/97/28/10/554972810.db2.gz SKNKQENTEHZHIP-ONQGDUAMSA-N 1 0 522.642 4.646 50 30 KJEARO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000102604917 554978428 /nfs/dbraw/zinc/97/84/28/554978428.db2.gz LLEGTHIHKHSQRU-UUALVTFQSA-N 1 0 522.642 4.790 50 30 KJEARO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)c1 ZINC000102604923 554978447 /nfs/dbraw/zinc/97/84/47/554978447.db2.gz LLEGTHIHKHSQRU-ONQGDUAMSA-N 1 0 522.642 4.790 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(F)c2)[C@H]1c1cc(OC)ccc1OC ZINC000102612784 554982086 /nfs/dbraw/zinc/98/20/86/554982086.db2.gz PTCLPRYMAZKNOX-CJJGVWJISA-N 1 0 528.621 4.784 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(F)c2)[C@@H]1c1cc(OC)ccc1OC ZINC000102612788 554982080 /nfs/dbraw/zinc/98/20/80/554982080.db2.gz PTCLPRYMAZKNOX-CZNAVJSXSA-N 1 0 528.621 4.784 50 30 KJEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Br)c2)cc1F ZINC000102622161 554987442 /nfs/dbraw/zinc/98/74/42/554987442.db2.gz ZICOVIWEXYXXGL-MOBKVPTQSA-N 1 0 519.411 4.749 50 30 KJEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Br)c2)cc1F ZINC000102622166 554987404 /nfs/dbraw/zinc/98/74/04/554987404.db2.gz ZICOVIWEXYXXGL-HOGKFDNTSA-N 1 0 519.411 4.749 50 30 KJEARO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000102625263 554987867 /nfs/dbraw/zinc/98/78/67/554987867.db2.gz KVISEMGIMVQSJV-YREDKMEYSA-N 1 0 536.669 4.961 50 30 KJEARO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000102625267 554987936 /nfs/dbraw/zinc/98/79/36/554987936.db2.gz KVISEMGIMVQSJV-YFVVEFNMSA-N 1 0 536.669 4.961 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000102625832 554988040 /nfs/dbraw/zinc/98/80/40/554988040.db2.gz HQDKHAUDTKGVHL-KXDYMIPJSA-N 1 0 522.642 4.571 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000102625839 554988033 /nfs/dbraw/zinc/98/80/33/554988033.db2.gz HQDKHAUDTKGVHL-ZLYDLHQSSA-N 1 0 522.642 4.571 50 30 KJEARO CCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000102646267 554992418 /nfs/dbraw/zinc/99/24/18/554992418.db2.gz KWNMHVMYSONOAE-MNEKTFPPSA-N 1 0 506.643 4.952 50 30 KJEARO CCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000102646269 554992409 /nfs/dbraw/zinc/99/24/09/554992409.db2.gz KWNMHVMYSONOAE-HGZLRSGXSA-N 1 0 506.643 4.952 50 30 KJEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102647252 554993295 /nfs/dbraw/zinc/99/32/95/554993295.db2.gz SCJYKCMXCMHZPV-VTVSLZSGSA-N 1 0 526.633 4.962 50 30 KJEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102647255 554993309 /nfs/dbraw/zinc/99/33/09/554993309.db2.gz SCJYKCMXCMHZPV-YJMWBXFMSA-N 1 0 526.633 4.962 50 30 KJEARO CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102647816 554993869 /nfs/dbraw/zinc/99/38/69/554993869.db2.gz WNZYLEOHGMPFEH-MNEKTFPPSA-N 1 0 506.643 4.952 50 30 KJEARO CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102647818 554993769 /nfs/dbraw/zinc/99/37/69/554993769.db2.gz WNZYLEOHGMPFEH-HGZLRSGXSA-N 1 0 506.643 4.952 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102648859 554994503 /nfs/dbraw/zinc/99/45/03/554994503.db2.gz VGKYZPMJTIZSOG-RPUIFAKWSA-N 1 0 573.484 4.640 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cc(Br)c(O)c(OC)c1 ZINC000102648861 554994551 /nfs/dbraw/zinc/99/45/51/554994551.db2.gz VGKYZPMJTIZSOG-SOIUSXPSSA-N 1 0 573.484 4.640 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1cccc(Br)c1 ZINC000102650632 554995677 /nfs/dbraw/zinc/99/56/77/554995677.db2.gz WYJAXBHPDBKLSB-IYGWJSLMSA-N 1 0 527.459 4.926 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@@H]1c1cccc(Br)c1 ZINC000102650634 554995667 /nfs/dbraw/zinc/99/56/67/554995667.db2.gz WYJAXBHPDBKLSB-WZLGSTDNSA-N 1 0 527.459 4.926 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000102674936 555003820 /nfs/dbraw/zinc/00/38/20/555003820.db2.gz AWARZVGHNKDYIE-FGEDTZIGSA-N 1 0 536.669 4.817 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C ZINC000102674938 555003841 /nfs/dbraw/zinc/00/38/41/555003841.db2.gz AWARZVGHNKDYIE-LODGOHBISA-N 1 0 536.669 4.817 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000102680852 555005368 /nfs/dbraw/zinc/00/53/68/555005368.db2.gz HQDKHAUDTKGVHL-NGAXIMOQSA-N 1 0 522.642 4.571 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000102680855 555005239 /nfs/dbraw/zinc/00/52/39/555005239.db2.gz HQDKHAUDTKGVHL-JLPDLQRYSA-N 1 0 522.642 4.571 50 30 KJEARO CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000102680959 555005662 /nfs/dbraw/zinc/00/56/62/555005662.db2.gz KVISEMGIMVQSJV-FGEDTZIGSA-N 1 0 536.669 4.961 50 30 KJEARO CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)cc1OCC ZINC000102680962 555005605 /nfs/dbraw/zinc/00/56/05/555005605.db2.gz KVISEMGIMVQSJV-LODGOHBISA-N 1 0 536.669 4.961 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102691194 555008248 /nfs/dbraw/zinc/00/82/48/555008248.db2.gz RVMYMDPIJOKTTL-DFXXOVSGSA-N 1 0 514.622 4.956 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102691199 555008233 /nfs/dbraw/zinc/00/82/33/555008233.db2.gz RVMYMDPIJOKTTL-TXTDGAROSA-N 1 0 514.622 4.956 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102692233 555008945 /nfs/dbraw/zinc/00/89/45/555008945.db2.gz BTAFOJYYQQBBLQ-TXTDGAROSA-N 1 0 513.638 4.623 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3ccc(N(C)C)cc3)cc2)c1 ZINC000102692242 555008903 /nfs/dbraw/zinc/00/89/03/555008903.db2.gz BTAFOJYYQQBBLQ-DFXXOVSGSA-N 1 0 513.638 4.623 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000102696184 555011347 /nfs/dbraw/zinc/01/13/47/555011347.db2.gz XDKFOABZGZAXCX-DFXXOVSGSA-N 1 0 530.621 4.662 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000102696187 555011363 /nfs/dbraw/zinc/01/13/63/555011363.db2.gz XDKFOABZGZAXCX-TXTDGAROSA-N 1 0 530.621 4.662 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000102704743 555013894 /nfs/dbraw/zinc/01/38/94/555013894.db2.gz XSLWQFACJWCPFS-TXTDGAROSA-N 1 0 530.621 4.662 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000102704750 555014015 /nfs/dbraw/zinc/01/40/15/555014015.db2.gz XSLWQFACJWCPFS-DFXXOVSGSA-N 1 0 530.621 4.662 50 30 KJEARO COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102708036 555015630 /nfs/dbraw/zinc/01/56/30/555015630.db2.gz TYDLEXFZTURMMJ-TXTDGAROSA-N 1 0 542.632 4.734 50 30 KJEARO COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102708039 555015624 /nfs/dbraw/zinc/01/56/24/555015624.db2.gz TYDLEXFZTURMMJ-DFXXOVSGSA-N 1 0 542.632 4.734 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102708530 555015898 /nfs/dbraw/zinc/01/58/98/555015898.db2.gz UAUSAGUJGDKBJU-ONQGDUAMSA-N 1 0 529.593 4.856 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102708538 555015859 /nfs/dbraw/zinc/01/58/59/555015859.db2.gz UAUSAGUJGDKBJU-UUALVTFQSA-N 1 0 529.593 4.856 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102708780 555015832 /nfs/dbraw/zinc/01/58/32/555015832.db2.gz XVXZBJDLDDYOMF-ONQGDUAMSA-N 1 0 529.593 4.856 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102708785 555015848 /nfs/dbraw/zinc/01/58/48/555015848.db2.gz XVXZBJDLDDYOMF-UUALVTFQSA-N 1 0 529.593 4.856 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000102709816 555016061 /nfs/dbraw/zinc/01/60/61/555016061.db2.gz ZFHKPUNWEUHUCP-ONQGDUAMSA-N 1 0 500.595 4.653 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000102709826 555016113 /nfs/dbraw/zinc/01/61/13/555016113.db2.gz ZFHKPUNWEUHUCP-UUALVTFQSA-N 1 0 500.595 4.653 50 30 KJEARO COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102710796 555016483 /nfs/dbraw/zinc/01/64/83/555016483.db2.gz XTQNBMVHEUYEIH-TXTDGAROSA-N 1 0 514.622 4.956 50 30 KJEARO COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102710800 555016443 /nfs/dbraw/zinc/01/64/43/555016443.db2.gz XTQNBMVHEUYEIH-DFXXOVSGSA-N 1 0 514.622 4.956 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102714283 555017840 /nfs/dbraw/zinc/01/78/40/555017840.db2.gz XIAPBBIMXOUBOB-DFXXOVSGSA-N 1 0 514.622 4.956 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102714285 555017997 /nfs/dbraw/zinc/01/79/97/555017997.db2.gz XIAPBBIMXOUBOB-TXTDGAROSA-N 1 0 514.622 4.956 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102718755 555019615 /nfs/dbraw/zinc/01/96/15/555019615.db2.gz MIHKCRYRKICNKM-MIOXIQPJSA-N 1 0 544.648 4.965 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102718758 555019669 /nfs/dbraw/zinc/01/96/69/555019669.db2.gz MIHKCRYRKICNKM-WGGXKBPPSA-N 1 0 544.648 4.965 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@H]3c3ccc(F)cc3)cc2)c1 ZINC000102721093 555020262 /nfs/dbraw/zinc/02/02/62/555020262.db2.gz LOVHFWLONZXSEJ-MIOXIQPJSA-N 1 0 544.623 4.857 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN4CCOCC4)[C@@H]3c3ccc(F)cc3)cc2)c1 ZINC000102721095 555020195 /nfs/dbraw/zinc/02/01/95/555020195.db2.gz LOVHFWLONZXSEJ-WGGXKBPPSA-N 1 0 544.623 4.857 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102721455 555020214 /nfs/dbraw/zinc/02/02/14/555020214.db2.gz AIMTVVMTTVBAIY-TXTDGAROSA-N 1 0 514.622 4.956 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1 ZINC000102721457 555020250 /nfs/dbraw/zinc/02/02/50/555020250.db2.gz AIMTVVMTTVBAIY-DFXXOVSGSA-N 1 0 514.622 4.956 50 30 KJEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735266 555025184 /nfs/dbraw/zinc/02/51/84/555025184.db2.gz CHKIOSBIAQZYPB-LODGOHBISA-N 1 0 512.606 4.572 50 30 KJEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735268 555025209 /nfs/dbraw/zinc/02/52/09/555025209.db2.gz CHKIOSBIAQZYPB-YFVVEFNMSA-N 1 0 512.606 4.572 50 30 KJEARO C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735270 555025234 /nfs/dbraw/zinc/02/52/34/555025234.db2.gz CHKIOSBIAQZYPB-FGEDTZIGSA-N 1 0 512.606 4.572 50 30 KJEARO C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CC[NH+](C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735272 555025318 /nfs/dbraw/zinc/02/53/18/555025318.db2.gz CHKIOSBIAQZYPB-YREDKMEYSA-N 1 0 512.606 4.572 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000102735623 555025805 /nfs/dbraw/zinc/02/58/05/555025805.db2.gz SJVXCKAEXNMCBE-ONQGDUAMSA-N 1 0 500.595 4.653 50 30 KJEARO Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000102735625 555026166 /nfs/dbraw/zinc/02/61/66/555026166.db2.gz SJVXCKAEXNMCBE-UUALVTFQSA-N 1 0 500.595 4.653 50 30 KJEARO C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102763388 555053700 /nfs/dbraw/zinc/05/37/00/555053700.db2.gz ILVFRTVHICGZHB-NDEPHWFRSA-N 1 0 546.693 4.638 50 30 KJEARO C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCC[NH+](C)C)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102763392 555054140 /nfs/dbraw/zinc/05/41/40/555054140.db2.gz ILVFRTVHICGZHB-MUUNZHRXSA-N 1 0 546.693 4.638 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000102856403 555088048 /nfs/dbraw/zinc/08/80/48/555088048.db2.gz IFJKTDQKEVPTCN-SBXHHDGASA-N 1 0 501.023 4.901 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000102856406 555087925 /nfs/dbraw/zinc/08/79/25/555087925.db2.gz IFJKTDQKEVPTCN-NXLSWJSLSA-N 1 0 501.023 4.901 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000102856644 555087915 /nfs/dbraw/zinc/08/79/15/555087915.db2.gz TXAPBRSRXYSXGP-KXDYMIPJSA-N 1 0 522.642 4.571 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000102856647 555087998 /nfs/dbraw/zinc/08/79/98/555087998.db2.gz TXAPBRSRXYSXGP-ZLYDLHQSSA-N 1 0 522.642 4.571 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000102856649 555088029 /nfs/dbraw/zinc/08/80/29/555088029.db2.gz TXAPBRSRXYSXGP-NGAXIMOQSA-N 1 0 522.642 4.571 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000102856652 555087943 /nfs/dbraw/zinc/08/79/43/555087943.db2.gz TXAPBRSRXYSXGP-JLPDLQRYSA-N 1 0 522.642 4.571 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102857763 555088813 /nfs/dbraw/zinc/08/88/13/555088813.db2.gz QBIUPFKPUDRPOR-UUALVTFQSA-N 1 0 554.684 4.819 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102857766 555088773 /nfs/dbraw/zinc/08/87/73/555088773.db2.gz QBIUPFKPUDRPOR-ONQGDUAMSA-N 1 0 554.684 4.819 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000102858363 555089247 /nfs/dbraw/zinc/08/92/47/555089247.db2.gz FEZCCAWOLQHRMV-ONQGDUAMSA-N 1 0 529.593 4.856 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000102858365 555089199 /nfs/dbraw/zinc/08/91/99/555089199.db2.gz FEZCCAWOLQHRMV-UUALVTFQSA-N 1 0 529.593 4.856 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000102859147 555089729 /nfs/dbraw/zinc/08/97/29/555089729.db2.gz PGWKQTCHUCPAHU-AYWGPLOBSA-N 1 0 515.448 4.918 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000102859151 555089636 /nfs/dbraw/zinc/08/96/36/555089636.db2.gz PGWKQTCHUCPAHU-ZHHPLPSFSA-N 1 0 515.448 4.918 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102859225 555089754 /nfs/dbraw/zinc/08/97/54/555089754.db2.gz ATVUHJCKLMXEPI-KXDYMIPJSA-N 1 0 522.642 4.571 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102859229 555089668 /nfs/dbraw/zinc/08/96/68/555089668.db2.gz ATVUHJCKLMXEPI-ZLYDLHQSSA-N 1 0 522.642 4.571 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102859232 555089661 /nfs/dbraw/zinc/08/96/61/555089661.db2.gz ATVUHJCKLMXEPI-NGAXIMOQSA-N 1 0 522.642 4.571 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102859235 555089779 /nfs/dbraw/zinc/08/97/79/555089779.db2.gz ATVUHJCKLMXEPI-JLPDLQRYSA-N 1 0 522.642 4.571 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000102859450 555089774 /nfs/dbraw/zinc/08/97/74/555089774.db2.gz HZIJEXGTTFLMRA-ONQGDUAMSA-N 1 0 500.595 4.653 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000102859454 555089721 /nfs/dbraw/zinc/08/97/21/555089721.db2.gz HZIJEXGTTFLMRA-UUALVTFQSA-N 1 0 500.595 4.653 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000102859831 555090307 /nfs/dbraw/zinc/09/03/07/555090307.db2.gz HNDGKNADYXXFSM-MOBKVPTQSA-N 1 0 501.421 4.528 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000102859833 555090369 /nfs/dbraw/zinc/09/03/69/555090369.db2.gz HNDGKNADYXXFSM-HOGKFDNTSA-N 1 0 501.421 4.528 50 30 KJEARO Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Br)cc1 ZINC000102860479 555090636 /nfs/dbraw/zinc/09/06/36/555090636.db2.gz FSRMKNUXJDBVOL-AYWGPLOBSA-N 1 0 515.448 4.918 50 30 KJEARO Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(Br)cc1 ZINC000102860481 555090592 /nfs/dbraw/zinc/09/05/92/555090592.db2.gz FSRMKNUXJDBVOL-ZHHPLPSFSA-N 1 0 515.448 4.918 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102860850 555091213 /nfs/dbraw/zinc/09/12/13/555091213.db2.gz SPSPELDTZLNZGY-CZNAVJSXSA-N 1 0 510.631 4.565 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102860853 555091317 /nfs/dbraw/zinc/09/13/17/555091317.db2.gz SPSPELDTZLNZGY-CJJGVWJISA-N 1 0 510.631 4.565 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102862231 555092279 /nfs/dbraw/zinc/09/22/79/555092279.db2.gz NDBOJYVDVKODDQ-NPJIAGGLSA-N 1 0 509.603 4.702 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102862234 555092344 /nfs/dbraw/zinc/09/23/44/555092344.db2.gz NDBOJYVDVKODDQ-IUKMQXEJSA-N 1 0 509.603 4.702 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000102863571 555093483 /nfs/dbraw/zinc/09/34/83/555093483.db2.gz KJKKEOKWFZNVMT-MIOXIQPJSA-N 1 0 574.674 4.973 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000102863573 555093511 /nfs/dbraw/zinc/09/35/11/555093511.db2.gz KJKKEOKWFZNVMT-WGGXKBPPSA-N 1 0 574.674 4.973 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000102863772 555093544 /nfs/dbraw/zinc/09/35/44/555093544.db2.gz VWAWYVOUZOINAE-TXTDGAROSA-N 1 0 560.647 4.583 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000102863773 555093573 /nfs/dbraw/zinc/09/35/73/555093573.db2.gz VWAWYVOUZOINAE-DFXXOVSGSA-N 1 0 560.647 4.583 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102864303 555093993 /nfs/dbraw/zinc/09/39/93/555093993.db2.gz HQMZLFJAAVRFDT-ONQGDUAMSA-N 1 0 529.593 4.856 50 30 KJEARO Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102864307 555093821 /nfs/dbraw/zinc/09/38/21/555093821.db2.gz HQMZLFJAAVRFDT-UUALVTFQSA-N 1 0 529.593 4.856 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Br)c1 ZINC000102864640 555094223 /nfs/dbraw/zinc/09/42/23/555094223.db2.gz ZKZCIPWYNQILRW-HOGKFDNTSA-N 1 0 501.421 4.530 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Br)c1 ZINC000102864642 555094216 /nfs/dbraw/zinc/09/42/16/555094216.db2.gz ZKZCIPWYNQILRW-MOBKVPTQSA-N 1 0 501.421 4.530 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102864680 555094149 /nfs/dbraw/zinc/09/41/49/555094149.db2.gz FMEUGRKVXXOSBT-WGGXKBPPSA-N 1 0 544.648 4.965 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1OC ZINC000102864683 555094244 /nfs/dbraw/zinc/09/42/44/555094244.db2.gz FMEUGRKVXXOSBT-MIOXIQPJSA-N 1 0 544.648 4.965 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102865691 555095231 /nfs/dbraw/zinc/09/52/31/555095231.db2.gz FOERQYNCNFXREH-DFXXOVSGSA-N 1 0 514.622 4.956 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102865693 555095286 /nfs/dbraw/zinc/09/52/86/555095286.db2.gz FOERQYNCNFXREH-TXTDGAROSA-N 1 0 514.622 4.956 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102866558 555095808 /nfs/dbraw/zinc/09/58/08/555095808.db2.gz NWDZXWTUOTZSGE-NPJIAGGLSA-N 1 0 509.603 4.702 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102866561 555095814 /nfs/dbraw/zinc/09/58/14/555095814.db2.gz NWDZXWTUOTZSGE-IUKMQXEJSA-N 1 0 509.603 4.702 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000102870573 555100683 /nfs/dbraw/zinc/10/06/83/555100683.db2.gz MRZGYKUYEFAJBX-DFXXOVSGSA-N 1 0 552.668 4.799 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OC ZINC000102870575 555100713 /nfs/dbraw/zinc/10/07/13/555100713.db2.gz MRZGYKUYEFAJBX-TXTDGAROSA-N 1 0 552.668 4.799 50 30 KJEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102872365 555102827 /nfs/dbraw/zinc/10/28/27/555102827.db2.gz GZXADDSAKWZBHJ-PGVNHDJNSA-N 1 0 501.414 4.631 50 30 KJEARO Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102872368 555102871 /nfs/dbraw/zinc/10/28/71/555102871.db2.gz GZXADDSAKWZBHJ-OBVHCKHUSA-N 1 0 501.414 4.631 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@@H]2c2ccc(OC)cc2)cc1Cl ZINC000102872520 555103229 /nfs/dbraw/zinc/10/32/29/555103229.db2.gz DWJXEXXSWKYTSQ-SBXHHDGASA-N 1 0 501.023 4.901 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](CC)CC)[C@H]2c2ccc(OC)cc2)cc1Cl ZINC000102872524 555103168 /nfs/dbraw/zinc/10/31/68/555103168.db2.gz DWJXEXXSWKYTSQ-NXLSWJSLSA-N 1 0 501.023 4.901 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102873149 555103791 /nfs/dbraw/zinc/10/37/91/555103791.db2.gz WFZMSJGZFJBIJH-MIOXIQPJSA-N 1 0 544.648 4.965 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102873152 555103769 /nfs/dbraw/zinc/10/37/69/555103769.db2.gz WFZMSJGZFJBIJH-WGGXKBPPSA-N 1 0 544.648 4.965 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102874092 555104330 /nfs/dbraw/zinc/10/43/30/555104330.db2.gz UFIQTZICDWWSHZ-MIOXIQPJSA-N 1 0 544.648 4.965 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102874096 555104309 /nfs/dbraw/zinc/10/43/09/555104309.db2.gz UFIQTZICDWWSHZ-WGGXKBPPSA-N 1 0 544.648 4.965 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccc(OC)c1OC ZINC000102877778 555107239 /nfs/dbraw/zinc/10/72/39/555107239.db2.gz XGZPQTFVERAEFB-NPJIAGGLSA-N 1 0 510.631 4.563 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccc(OC)c1OC ZINC000102877780 555107205 /nfs/dbraw/zinc/10/72/05/555107205.db2.gz XGZPQTFVERAEFB-IUKMQXEJSA-N 1 0 510.631 4.563 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102878062 555107262 /nfs/dbraw/zinc/10/72/62/555107262.db2.gz PANRTMOTATWIRB-YREDKMEYSA-N 1 0 536.669 4.961 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102878064 555107165 /nfs/dbraw/zinc/10/71/65/555107165.db2.gz PANRTMOTATWIRB-YFVVEFNMSA-N 1 0 536.669 4.961 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102878067 555107219 /nfs/dbraw/zinc/10/72/19/555107219.db2.gz PANRTMOTATWIRB-FGEDTZIGSA-N 1 0 536.669 4.961 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102878069 555107222 /nfs/dbraw/zinc/10/72/22/555107222.db2.gz PANRTMOTATWIRB-LODGOHBISA-N 1 0 536.669 4.961 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102878141 555107595 /nfs/dbraw/zinc/10/75/95/555107595.db2.gz PWLLKKNBIHDREC-CZNAVJSXSA-N 1 0 510.631 4.565 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102878144 555107615 /nfs/dbraw/zinc/10/76/15/555107615.db2.gz PWLLKKNBIHDREC-CJJGVWJISA-N 1 0 510.631 4.565 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102878216 555107566 /nfs/dbraw/zinc/10/75/66/555107566.db2.gz DCAROOLNIOJCSO-CZNAVJSXSA-N 1 0 540.657 4.573 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102878217 555107459 /nfs/dbraw/zinc/10/74/59/555107459.db2.gz DCAROOLNIOJCSO-CJJGVWJISA-N 1 0 540.657 4.573 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Br)c2)ccc1OC(C)C ZINC000102879000 555108185 /nfs/dbraw/zinc/10/81/85/555108185.db2.gz XHJSQFBWURSUCN-AYWGPLOBSA-N 1 0 515.448 4.918 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Br)c2)ccc1OC(C)C ZINC000102879002 555108166 /nfs/dbraw/zinc/10/81/66/555108166.db2.gz XHJSQFBWURSUCN-ZHHPLPSFSA-N 1 0 515.448 4.918 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000102879319 555108439 /nfs/dbraw/zinc/10/84/39/555108439.db2.gz OOZTYSMINOMAEH-MIOXIQPJSA-N 1 0 574.674 4.973 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc(OC)c1OC ZINC000102879321 555108482 /nfs/dbraw/zinc/10/84/82/555108482.db2.gz OOZTYSMINOMAEH-WGGXKBPPSA-N 1 0 574.674 4.973 50 30 KJEARO COc1cccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102879755 555108633 /nfs/dbraw/zinc/10/86/33/555108633.db2.gz NXHPRURSAQSFNP-TXTDGAROSA-N 1 0 514.622 4.956 50 30 KJEARO COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)c1 ZINC000102879756 555108648 /nfs/dbraw/zinc/10/86/48/555108648.db2.gz NXHPRURSAQSFNP-DFXXOVSGSA-N 1 0 514.622 4.956 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102879875 555108963 /nfs/dbraw/zinc/10/89/63/555108963.db2.gz UELVFVXUJMTZDZ-UUALVTFQSA-N 1 0 524.658 4.811 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102879878 555108983 /nfs/dbraw/zinc/10/89/83/555108983.db2.gz UELVFVXUJMTZDZ-ONQGDUAMSA-N 1 0 524.658 4.811 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102880370 555109294 /nfs/dbraw/zinc/10/92/94/555109294.db2.gz BIWOXMKPIVDMRG-ONQGDUAMSA-N 1 0 554.684 4.963 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102880374 555109328 /nfs/dbraw/zinc/10/93/28/555109328.db2.gz BIWOXMKPIVDMRG-UUALVTFQSA-N 1 0 554.684 4.963 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000102880458 555109306 /nfs/dbraw/zinc/10/93/06/555109306.db2.gz OYXBLHMWHMMCQC-YREDKMEYSA-N 1 0 536.669 4.961 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000102880461 555109246 /nfs/dbraw/zinc/10/92/46/555109246.db2.gz OYXBLHMWHMMCQC-YFVVEFNMSA-N 1 0 536.669 4.961 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000102880464 555109270 /nfs/dbraw/zinc/10/92/70/555109270.db2.gz OYXBLHMWHMMCQC-FGEDTZIGSA-N 1 0 536.669 4.961 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000102880465 555109326 /nfs/dbraw/zinc/10/93/26/555109326.db2.gz OYXBLHMWHMMCQC-LODGOHBISA-N 1 0 536.669 4.961 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102880946 555109500 /nfs/dbraw/zinc/10/95/00/555109500.db2.gz XAEHXGIDJLSLCJ-UUALVTFQSA-N 1 0 524.658 4.811 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102880949 555109552 /nfs/dbraw/zinc/10/95/52/555109552.db2.gz XAEHXGIDJLSLCJ-ONQGDUAMSA-N 1 0 524.658 4.811 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102881063 555109856 /nfs/dbraw/zinc/10/98/56/555109856.db2.gz YQNLXDZMQXDEHV-IUKMQXEJSA-N 1 0 509.603 4.846 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](CC)CC)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102881066 555109780 /nfs/dbraw/zinc/10/97/80/555109780.db2.gz YQNLXDZMQXDEHV-NPJIAGGLSA-N 1 0 509.603 4.846 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000102881316 555109870 /nfs/dbraw/zinc/10/98/70/555109870.db2.gz OESSEMRTPJBMHW-ONQGDUAMSA-N 1 0 529.593 4.856 50 30 KJEARO Cc1cc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000102881320 555109776 /nfs/dbraw/zinc/10/97/76/555109776.db2.gz OESSEMRTPJBMHW-UUALVTFQSA-N 1 0 529.593 4.856 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102882890 555111388 /nfs/dbraw/zinc/11/13/88/555111388.db2.gz IJAUYSUADCYBON-CJJGVWJISA-N 1 0 510.631 4.645 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)cc1OCC ZINC000102882892 555111419 /nfs/dbraw/zinc/11/14/19/555111419.db2.gz IJAUYSUADCYBON-CZNAVJSXSA-N 1 0 510.631 4.645 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CC[NH+](CC)CC)ccc1O ZINC000102883311 555111619 /nfs/dbraw/zinc/11/16/19/555111619.db2.gz KJOLRSKMIWPPDA-UUALVTFQSA-N 1 0 524.658 4.898 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CC[NH+](CC)CC)ccc1O ZINC000102883312 555111657 /nfs/dbraw/zinc/11/16/57/555111657.db2.gz KJOLRSKMIWPPDA-ONQGDUAMSA-N 1 0 524.658 4.898 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C(C)(C)C)cc1 ZINC000102885105 555115105 /nfs/dbraw/zinc/11/51/05/555115105.db2.gz DJYMVXODTGHNOO-CJJGVWJISA-N 1 0 506.643 4.909 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C(C)(C)C)cc1 ZINC000102885106 555115156 /nfs/dbraw/zinc/11/51/56/555115156.db2.gz DJYMVXODTGHNOO-CZNAVJSXSA-N 1 0 506.643 4.909 50 30 KJEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102886535 555116938 /nfs/dbraw/zinc/11/69/38/555116938.db2.gz GFNHKSOWCKOOCO-MOBKVPTQSA-N 1 0 501.421 4.610 50 30 KJEARO CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102886536 555117003 /nfs/dbraw/zinc/11/70/03/555117003.db2.gz GFNHKSOWCKOOCO-HOGKFDNTSA-N 1 0 501.421 4.610 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000102887332 555118939 /nfs/dbraw/zinc/11/89/39/555118939.db2.gz OTEGWKLPVKLPCG-GSYBUTJLSA-N 1 0 556.659 4.971 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000102887334 555118806 /nfs/dbraw/zinc/11/88/06/555118806.db2.gz OTEGWKLPVKLPCG-WENCHWOGSA-N 1 0 556.659 4.971 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000102887335 555118796 /nfs/dbraw/zinc/11/87/96/555118796.db2.gz OTEGWKLPVKLPCG-RWMNMRIUSA-N 1 0 556.659 4.971 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1 ZINC000102887337 555118878 /nfs/dbraw/zinc/11/88/78/555118878.db2.gz OTEGWKLPVKLPCG-ICQXDZJJSA-N 1 0 556.659 4.971 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)ccc1OCCC(C)C ZINC000102888381 555121541 /nfs/dbraw/zinc/12/15/41/555121541.db2.gz BOXQWMTUFZWYJN-DFXXOVSGSA-N 1 0 552.668 4.655 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)ccc1OCCC(C)C ZINC000102888382 555121571 /nfs/dbraw/zinc/12/15/71/555121571.db2.gz BOXQWMTUFZWYJN-TXTDGAROSA-N 1 0 552.668 4.655 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102888398 555121434 /nfs/dbraw/zinc/12/14/34/555121434.db2.gz PKZZEUSPYXBUEL-ZHHPLPSFSA-N 1 0 519.425 4.918 50 30 KJEARO CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102888400 555121443 /nfs/dbraw/zinc/12/14/43/555121443.db2.gz PKZZEUSPYXBUEL-AYWGPLOBSA-N 1 0 519.425 4.918 50 30 KJEARO COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102889724 555124261 /nfs/dbraw/zinc/12/42/61/555124261.db2.gz XFNFXUJWKPUVRF-ONQGDUAMSA-N 1 0 500.595 4.566 50 30 KJEARO COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)c1 ZINC000102889727 555124281 /nfs/dbraw/zinc/12/42/81/555124281.db2.gz XFNFXUJWKPUVRF-UUALVTFQSA-N 1 0 500.595 4.566 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000102890414 555125635 /nfs/dbraw/zinc/12/56/35/555125635.db2.gz NGFFYCHDLAIYJL-UUALVTFQSA-N 1 0 522.642 4.790 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1 ZINC000102890416 555125656 /nfs/dbraw/zinc/12/56/56/555125656.db2.gz NGFFYCHDLAIYJL-ONQGDUAMSA-N 1 0 522.642 4.790 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)ccc1OCc1ccccc1 ZINC000102893226 555130245 /nfs/dbraw/zinc/13/02/45/555130245.db2.gz RYNKERAJEVSOTL-VEZPTTSMSA-N 1 0 572.658 4.809 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](C)C)ccc1OCc1ccccc1 ZINC000102893229 555130115 /nfs/dbraw/zinc/13/01/15/555130115.db2.gz RYNKERAJEVSOTL-QMMFTLRZSA-N 1 0 572.658 4.809 50 30 KJEARO CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000102894213 555132242 /nfs/dbraw/zinc/13/22/42/555132242.db2.gz YUVWHCZKIDHOPK-DFXXOVSGSA-N 1 0 552.668 4.799 50 30 KJEARO CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CC[NH+](CC)CC)cc1OCC ZINC000102894215 555132294 /nfs/dbraw/zinc/13/22/94/555132294.db2.gz YUVWHCZKIDHOPK-TXTDGAROSA-N 1 0 552.668 4.799 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102894391 555132226 /nfs/dbraw/zinc/13/22/26/555132226.db2.gz SCDYEIJZZYOVCS-WGGXKBPPSA-N 1 0 542.632 4.800 50 30 KJEARO CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102894395 555132303 /nfs/dbraw/zinc/13/23/03/555132303.db2.gz SCDYEIJZZYOVCS-MIOXIQPJSA-N 1 0 542.632 4.800 50 30 KJEARO CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000102894641 555132807 /nfs/dbraw/zinc/13/28/07/555132807.db2.gz WYKTWFBKZDJOSL-DFXXOVSGSA-N 1 0 552.668 4.799 50 30 KJEARO CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)cc1OCC ZINC000102894642 555132860 /nfs/dbraw/zinc/13/28/60/555132860.db2.gz WYKTWFBKZDJOSL-TXTDGAROSA-N 1 0 552.668 4.799 50 30 KJEARO COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102895543 555134653 /nfs/dbraw/zinc/13/46/53/555134653.db2.gz PHEQVWKRPGZDSO-ONQGDUAMSA-N 1 0 500.595 4.566 50 30 KJEARO COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc1 ZINC000102895544 555134750 /nfs/dbraw/zinc/13/47/50/555134750.db2.gz PHEQVWKRPGZDSO-UUALVTFQSA-N 1 0 500.595 4.566 50 30 KJEARO CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000102896845 555136880 /nfs/dbraw/zinc/13/68/80/555136880.db2.gz BDVYHTWTEVQEAK-UUALVTFQSA-N 1 0 522.642 4.790 50 30 KJEARO CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCC[NH+](CC)CC)c1 ZINC000102896847 555136967 /nfs/dbraw/zinc/13/69/67/555136967.db2.gz BDVYHTWTEVQEAK-ONQGDUAMSA-N 1 0 522.642 4.790 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000102925321 555149779 /nfs/dbraw/zinc/14/97/79/555149779.db2.gz CAFIJGLDCUVXST-TXTDGAROSA-N 1 0 530.621 4.662 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCC[NH+](C)C)ccc1O ZINC000102925324 555149729 /nfs/dbraw/zinc/14/97/29/555149729.db2.gz CAFIJGLDCUVXST-DFXXOVSGSA-N 1 0 530.621 4.662 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000102925617 555149932 /nfs/dbraw/zinc/14/99/32/555149932.db2.gz AWYKCHQQOZRFGQ-MRJHHRETSA-N 1 0 521.839 4.875 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000102925621 555149954 /nfs/dbraw/zinc/14/99/54/555149954.db2.gz AWYKCHQQOZRFGQ-JBCNATCCSA-N 1 0 521.839 4.875 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000102925768 555150169 /nfs/dbraw/zinc/15/01/69/555150169.db2.gz XFKVLJJTFKIAFL-TXTDGAROSA-N 1 0 560.647 4.583 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000102925771 555150197 /nfs/dbraw/zinc/15/01/97/555150197.db2.gz XFKVLJJTFKIAFL-DFXXOVSGSA-N 1 0 560.647 4.583 50 30 KJEARO CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102927308 555151893 /nfs/dbraw/zinc/15/18/93/555151893.db2.gz XQDXPIAGYNWJKR-UUALVTFQSA-N 1 0 524.658 4.811 50 30 KJEARO CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCC[NH+](C)C)cc1OC ZINC000102927310 555151879 /nfs/dbraw/zinc/15/18/79/555151879.db2.gz XQDXPIAGYNWJKR-ONQGDUAMSA-N 1 0 524.658 4.811 50 30 KJEARO CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000102927331 555151986 /nfs/dbraw/zinc/15/19/86/555151986.db2.gz MEFDZUTUOWGCEJ-DFXXOVSGSA-N 1 0 530.621 4.662 50 30 KJEARO CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CC[NH+](C)C)ccc1O ZINC000102927335 555151929 /nfs/dbraw/zinc/15/19/29/555151929.db2.gz MEFDZUTUOWGCEJ-TXTDGAROSA-N 1 0 530.621 4.662 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102928288 555153540 /nfs/dbraw/zinc/15/35/40/555153540.db2.gz CYLUVMFWECOEBE-ONQGDUAMSA-N 1 0 524.658 4.955 50 30 KJEARO CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102928289 555153736 /nfs/dbraw/zinc/15/37/36/555153736.db2.gz CYLUVMFWECOEBE-UUALVTFQSA-N 1 0 524.658 4.955 50 30 KJEARO COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000102930510 555157334 /nfs/dbraw/zinc/15/73/34/555157334.db2.gz VFLYVOYLGVNDMD-TXTDGAROSA-N 1 0 560.647 4.583 50 30 KJEARO COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CC[NH+](C)C)cc(OC)c1OC ZINC000102930514 555157389 /nfs/dbraw/zinc/15/73/89/555157389.db2.gz VFLYVOYLGVNDMD-DFXXOVSGSA-N 1 0 560.647 4.583 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000102930636 555157288 /nfs/dbraw/zinc/15/72/88/555157288.db2.gz FCNPSIPUGBQHDR-MRJHHRETSA-N 1 0 521.839 4.875 50 30 KJEARO CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000102930637 555157371 /nfs/dbraw/zinc/15/73/71/555157371.db2.gz FCNPSIPUGBQHDR-JBCNATCCSA-N 1 0 521.839 4.875 50 30 KJEARO O=[N+]([O-])c1ccc(C(C[n+]2ccc(Cc3ccccc3)cc2)N=Nc2ccc([N+](=O)[O-])cc2[N+](=O)[O-])cc1 ZINC000104263963 571378065 /nfs/dbraw/zinc/37/80/65/571378065.db2.gz RHKCXIJMMAXKED-AZPGRJICSA-N 1 0 513.490 4.806 50 30 KJEARO Cc1ccc(S(=O)(=O)NC2=C(N3CCN(C(c4ccccc4)c4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1 ZINC000135867903 571449083 /nfs/dbraw/zinc/44/90/83/571449083.db2.gz OZBFCZWUHKYIAA-UHFFFAOYSA-N 1 0 577.706 4.971 50 30 KJEARO CC[NH+](CC)CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000136962013 571449756 /nfs/dbraw/zinc/44/97/56/571449756.db2.gz XLBJHNQHGLSJJW-AREMUKBSSA-N 1 0 543.576 4.876 50 30 KJEARO CC[NH+](CC)CCOC(=O)c1ccc(N2C(=O)C(O)=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1 ZINC000136962057 571449846 /nfs/dbraw/zinc/44/98/46/571449846.db2.gz XLBJHNQHGLSJJW-SANMLTNESA-N 1 0 543.576 4.876 50 30 KJEARO Cc1cn([C@H]2C[C@H](OP(OCCC#N)[NH+](C(C)C)C(C)C)[C@@H](COC(=O)OC[C@@H](C)c3ccccc3[N+](=O)[O-])O2)c(=O)[nH]c1=O ZINC000150366156 571464718 /nfs/dbraw/zinc/46/47/18/571464718.db2.gz ZOIPTUUCAAKGFT-BTGXRGPMSA-N 1 0 649.638 4.659 50 30 KJEARO Cc1cn([C@H]2C[C@H](OP(OCCC#N)[NH+](C(C)C)C(C)C)[C@@H](COC(=O)OC[C@H](C)c3ccccc3[N+](=O)[O-])O2)c(=O)[nH]c1=O ZINC000150366160 571464743 /nfs/dbraw/zinc/46/47/43/571464743.db2.gz ZOIPTUUCAAKGFT-IFMXNTJYSA-N 1 0 649.638 4.659 50 30 KJEARO C=CCN(CC(=O)N1CCc2sccc2[C@@H]1COc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000169680154 571556763 /nfs/dbraw/zinc/55/67/63/571556763.db2.gz NMURNGARQARECI-NAKRPHOHSA-N 1 0 520.695 4.627 50 30 KJEARO C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(C)c1)C[C@@H](O)COCc1ccccc1 ZINC000169680155 571556775 /nfs/dbraw/zinc/55/67/75/571556775.db2.gz NMURNGARQARECI-LEAFIULHSA-N 1 0 520.695 4.627 50 30 KJEARO C=CCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C[C@@H](O)COc1ccccc1C ZINC000169680373 571556630 /nfs/dbraw/zinc/55/66/30/571556630.db2.gz MKLLSPLMNRAOQP-ZEQKJWHPSA-N 1 0 524.658 4.628 50 30 KJEARO C=CCOc1ccccc1C[NH2+][C@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2cccc(Cl)c2)C1 ZINC000210982529 1066487373 /nfs/dbraw/zinc/48/73/73/1066487373.db2.gz RONFKITXNOELHM-SVBPBHIXSA-N 1 0 548.083 4.725 50 30 KJEARO N#CCOc1ccccc1C(=O)[C@@H]1[C@H](C(=O)c2ccncc2)[C@]2(C(=O)Nc3ccccc32)[C@H]2c3ccccc3C=CN21 ZINC000229984768 572176413 /nfs/dbraw/zinc/17/64/13/572176413.db2.gz ZAZCTYJSEIKFAA-FVYOSNSJSA-N 1 0 552.590 4.966 50 30 KJEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1C[N@@H+]1CCC[C@H]1C(O)(c1ccccc1)c1ccccc1 ZINC000252694512 572281739 /nfs/dbraw/zinc/28/17/39/572281739.db2.gz LQHLZZKYYXMPRY-OSAZFZCQSA-N 1 0 501.667 4.914 50 30 KJEARO C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](C[N@@H+]3CCC[C@H]3C(O)(c3ccccc3)c3ccccc3)C(=O)O[C@@H]1C2 ZINC000252694513 572281785 /nfs/dbraw/zinc/28/17/85/572281785.db2.gz LQHLZZKYYXMPRY-WCECUBMESA-N 1 0 501.667 4.914 50 30 KJEARO COc1ccc([C@]2(CCNC(=O)CCC(=O)OCC(=O)[C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000253498735 572292876 /nfs/dbraw/zinc/29/28/76/572292876.db2.gz OMUYNHPTGXLOKQ-LXWIXSRTSA-N 1 0 720.948 4.926 50 30 KJEARO COc1ccc([C@]2(CCNC(=O)CCC(=O)OCC(=O)[C@@]3(O)CC[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@H]5[C@@H](O)C[C@@]43C)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000253498736 572292867 /nfs/dbraw/zinc/29/28/67/572292867.db2.gz OMUYNHPTGXLOKQ-MXHMOMLGSA-N 1 0 720.948 4.926 50 30 KJEARO COc1ccc([C@]2(CCNC(=O)CCC(=O)OCC(=O)[C@@]3(O)CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@@]43C)C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000253522723 572297731 /nfs/dbraw/zinc/29/77/31/572297731.db2.gz OMUYNHPTGXLOKQ-IWPXNSLPSA-N 1 0 720.948 4.926 50 30 KJEARO COc1ccc([C@]2(CCNC(=O)CCC(=O)OCC(=O)[C@@]3(O)CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@@]43C)C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000253522724 572297743 /nfs/dbraw/zinc/29/77/43/572297743.db2.gz OMUYNHPTGXLOKQ-SITPZLEJSA-N 1 0 720.948 4.926 50 30 KJEARO COc1ccc([C@]2(CCNC(=O)CCC(=O)OCC(=O)[C@@]3(O)CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@@]43C)C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000253522725 572297708 /nfs/dbraw/zinc/29/77/08/572297708.db2.gz OMUYNHPTGXLOKQ-WMFVAKMMSA-N 1 0 720.948 4.926 50 30 KJEARO COc1ccc([C@]2(CCNC(=O)CCC(=O)OCC(=O)[C@@]3(O)CC[C@@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5[C@@H](O)C[C@@]43C)C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000253522726 572297726 /nfs/dbraw/zinc/29/77/26/572297726.db2.gz OMUYNHPTGXLOKQ-XVMCZQMPSA-N 1 0 720.948 4.926 50 30 KJEARO COc1cc(OC)c(Cl)c2c1C(=O)[C@@]1(O2)C(=O)C=C(Nc2ccc3c(c2)CN2CCCC2=[NH+]3)C[C@H]1C ZINC000524730925 1066215263 /nfs/dbraw/zinc/21/52/63/1066215263.db2.gz CNVVSOUQEUZHQP-ASHKIFAZSA-N 1 0 507.974 4.915 50 30 KJEARO CCN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1=CC(=O)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)[C@H](C)C1 ZINC000823069311 1066502274 /nfs/dbraw/zinc/50/22/74/1066502274.db2.gz ICKICYHWPBNQDQ-NVARFXFWSA-N 1 0 517.066 4.750 50 30 KJEARO