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)N2CCCN(C)C)cc(OC)c1OC ZINC000001108598 551610767 /nfs/dbraw/zinc/61/07/67/551610767.db2.gz DHBJEMQHVAREIO-HSZRJFAPSA-N 0 3 551.665 4.674 50 30 KJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(Br)c1 ZINC000001458608 551677345 /nfs/dbraw/zinc/67/73/45/551677345.db2.gz PXCDFJLKBZAVNN-IBGZPJMESA-N 0 3 522.237 4.742 50 30 KJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(Br)c1 ZINC000001458609 551677316 /nfs/dbraw/zinc/67/73/16/551677316.db2.gz PXCDFJLKBZAVNN-LJQANCHMSA-N 0 3 522.237 4.742 50 30 KJEAHN CCOc1ccc(NC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(c3ccccc3F)CC2)cc1 ZINC000002199264 551792451 /nfs/dbraw/zinc/79/24/51/551792451.db2.gz IDXQNYRVHBJTGS-QFIPXVFZSA-N 0 3 510.573 4.740 50 30 KJEAHN CCOc1ccc(NC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(c3ccccc3F)CC2)cc1 ZINC000002199266 551792511 /nfs/dbraw/zinc/79/25/11/551792511.db2.gz IDXQNYRVHBJTGS-JOCHJYFZSA-N 0 3 510.573 4.740 50 30 KJEAHN CN1C(C(=O)c2ccccc2)=C(OC(=O)c2ccc(CN3CCCCC3)cc2)c2ccccc2S1(=O)=O ZINC000002395762 552110033 /nfs/dbraw/zinc/11/00/33/552110033.db2.gz REBGDHIKXREMAL-UHFFFAOYSA-N 0 3 516.619 4.715 50 30 KJEAHN CCOc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000003171392 552299375 /nfs/dbraw/zinc/29/93/75/552299375.db2.gz GBUPPWCGMMQESK-HXUWFJFHSA-N 0 3 525.472 4.970 50 30 KJEAHN CCOc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000003171394 552299390 /nfs/dbraw/zinc/29/93/90/552299390.db2.gz GBUPPWCGMMQESK-FQEVSTJZSA-N 0 3 525.472 4.970 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008383618 552987109 /nfs/dbraw/zinc/98/71/09/552987109.db2.gz JFGRRWWYMSWMCK-SSEXGKCCSA-N 0 3 572.658 4.966 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000008383621 552987146 /nfs/dbraw/zinc/98/71/46/552987146.db2.gz JFGRRWWYMSWMCK-PMERELPUSA-N 0 3 572.658 4.966 50 30 KJEAHN N#Cc1ccccc1Cn1c2ccccc2c(=O)n(Cc2ccc(C(=O)NC3CCN(Cc4ccccc4)CC3)cc2)c1=O ZINC000008593339 553085337 /nfs/dbraw/zinc/08/53/37/553085337.db2.gz GLJIJOOFMUBRGR-UHFFFAOYSA-N 0 3 583.692 4.526 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000008739158 553131394 /nfs/dbraw/zinc/13/13/94/553131394.db2.gz MZRVHLINDADTSP-MHZLTWQESA-N 0 3 500.595 4.810 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000008739159 553131290 /nfs/dbraw/zinc/13/12/90/553131290.db2.gz MZRVHLINDADTSP-HHHXNRCGSA-N 0 3 500.595 4.810 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000008740631 553132107 /nfs/dbraw/zinc/13/21/07/553132107.db2.gz HSSYJKAULNOMPL-SANMLTNESA-N 0 3 510.631 4.577 50 30 biogenic KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000008740632 553132434 /nfs/dbraw/zinc/13/24/34/553132434.db2.gz HSSYJKAULNOMPL-AREMUKBSSA-N 0 3 510.631 4.577 50 30 biogenic KJEAHN CC1(C)Cc2c(C#N)c(NC(=O)[C@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)sc2C(C)(C)N1 ZINC000008817599 553152897 /nfs/dbraw/zinc/15/28/97/553152897.db2.gz XAUQSGTVYKNGER-QFIPXVFZSA-N 0 3 512.635 4.625 50 30 KJEAHN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008838062 553164639 /nfs/dbraw/zinc/16/46/39/553164639.db2.gz UUEQYOSOPCPVRA-DEOSSOPVSA-N 0 3 509.647 4.636 50 30 KJEAHN CCOC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)c1C ZINC000008838063 553164802 /nfs/dbraw/zinc/16/48/02/553164802.db2.gz UUEQYOSOPCPVRA-XMMPIXPASA-N 0 3 509.647 4.636 50 30 KJEAHN CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1 ZINC000008881728 553175912 /nfs/dbraw/zinc/17/59/12/553175912.db2.gz MOHKOXCQTMRLBC-UHFFFAOYSA-N 0 3 514.717 4.985 50 30 KJEAHN CC1(C)Cc2c(C#N)c(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)sc2C(C)(C)N1 ZINC000008881822 553176134 /nfs/dbraw/zinc/17/61/34/553176134.db2.gz DIHGTRNGAMHACC-UHFFFAOYSA-N 0 3 500.690 4.596 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000008905157 553183754 /nfs/dbraw/zinc/18/37/54/553183754.db2.gz AGDBAIHGHXBOLT-UUALVTFQSA-N 0 3 518.610 4.809 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000008905159 553183726 /nfs/dbraw/zinc/18/37/26/553183726.db2.gz AGDBAIHGHXBOLT-ONQGDUAMSA-N 0 3 518.610 4.809 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1 ZINC000008914782 553186061 /nfs/dbraw/zinc/18/60/61/553186061.db2.gz DEIOJQYMQPHART-QFIPXVFZSA-N 0 3 501.421 4.766 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008914783 553186097 /nfs/dbraw/zinc/18/60/97/553186097.db2.gz DEIOJQYMQPHART-JOCHJYFZSA-N 0 3 501.421 4.766 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000008915040 553186027 /nfs/dbraw/zinc/18/60/27/553186027.db2.gz LVEPGGMUCNDIDS-NDEPHWFRSA-N 0 3 530.621 4.818 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000008915041 553186071 /nfs/dbraw/zinc/18/60/71/553186071.db2.gz LVEPGGMUCNDIDS-MUUNZHRXSA-N 0 3 530.621 4.818 50 30 KJEAHN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000008915075 553186048 /nfs/dbraw/zinc/18/60/48/553186048.db2.gz OHKUJDJRZMYAHA-MHZLTWQESA-N 0 3 528.605 4.501 50 30 KJEAHN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000008915076 553186084 /nfs/dbraw/zinc/18/60/84/553186084.db2.gz OHKUJDJRZMYAHA-HHHXNRCGSA-N 0 3 528.605 4.501 50 30 KJEAHN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000008921132 553189454 /nfs/dbraw/zinc/18/94/54/553189454.db2.gz YKLZZARUHARGLW-HOGKFDNTSA-N 0 3 501.421 4.610 50 30 KJEAHN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000008921136 553189498 /nfs/dbraw/zinc/18/94/98/553189498.db2.gz YKLZZARUHARGLW-MOBKVPTQSA-N 0 3 501.421 4.610 50 30 KJEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008983271 553196021 /nfs/dbraw/zinc/19/60/21/553196021.db2.gz VHLQULGGPZFWLO-NRFANRHFSA-N 0 3 501.414 4.788 50 30 KJEAHN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000008983271 553196020 /nfs/dbraw/zinc/19/60/20/553196020.db2.gz VHLQULGGPZFWLO-NRFANRHFSA-N 0 3 501.414 4.788 50 30 KJEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008983293 553196065 /nfs/dbraw/zinc/19/60/65/553196065.db2.gz VHLQULGGPZFWLO-OAQYLSRUSA-N 0 3 501.414 4.788 50 30 KJEAHN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000008983293 553196064 /nfs/dbraw/zinc/19/60/64/553196064.db2.gz VHLQULGGPZFWLO-OAQYLSRUSA-N 0 3 501.414 4.788 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Br)c2)cc1 ZINC000008987853 553196840 /nfs/dbraw/zinc/19/68/40/553196840.db2.gz UFUZHUKFOFYOTA-HOGKFDNTSA-N 0 3 501.421 4.611 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Br)c2)cc1 ZINC000008987861 553196836 /nfs/dbraw/zinc/19/68/36/553196836.db2.gz UFUZHUKFOFYOTA-MOBKVPTQSA-N 0 3 501.421 4.611 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009007970 553198518 /nfs/dbraw/zinc/19/85/18/553198518.db2.gz HOFWKDUUDZZDJQ-TXTDGAROSA-N 0 3 514.622 4.826 50 30 KJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000009041927 553202388 /nfs/dbraw/zinc/20/23/88/553202388.db2.gz AIHJDTSFCRHYPS-SANMLTNESA-N 0 3 510.631 4.721 50 30 KJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000009041930 553202521 /nfs/dbraw/zinc/20/25/21/553202521.db2.gz AIHJDTSFCRHYPS-AREMUKBSSA-N 0 3 510.631 4.721 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000009046897 553204377 /nfs/dbraw/zinc/20/43/77/553204377.db2.gz OXGIOIDTEXNCEE-CZNAVJSXSA-N 0 3 510.631 4.646 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009065847 553206195 /nfs/dbraw/zinc/20/61/95/553206195.db2.gz UWCOJFPVAHVQLW-AREMUKBSSA-N 0 3 515.566 4.622 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009066348 553206202 /nfs/dbraw/zinc/20/62/02/553206202.db2.gz HOFWKDUUDZZDJQ-DFXXOVSGSA-N 0 3 514.622 4.826 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000009068021 553206680 /nfs/dbraw/zinc/20/66/80/553206680.db2.gz DZEMVHFGOZSEAI-CZNAVJSXSA-N 0 3 510.631 4.645 50 30 KJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Br)c3)oc21 ZINC000009070729 553207060 /nfs/dbraw/zinc/20/70/60/553207060.db2.gz IKFFWWXKTRYUMG-JBCNATCCSA-N 0 3 513.388 4.577 50 30 KJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Br)c3)oc21 ZINC000009070736 553207127 /nfs/dbraw/zinc/20/71/27/553207127.db2.gz IKFFWWXKTRYUMG-MRJHHRETSA-N 0 3 513.388 4.577 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009176518 553216354 /nfs/dbraw/zinc/21/63/54/553216354.db2.gz UVQVJNSMTUQTTK-SANMLTNESA-N 0 3 515.566 4.622 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009176529 553216284 /nfs/dbraw/zinc/21/62/84/553216284.db2.gz UVQVJNSMTUQTTK-AREMUKBSSA-N 0 3 515.566 4.622 50 30 KJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(Br)cc3)oc21 ZINC000009177557 553216396 /nfs/dbraw/zinc/21/63/96/553216396.db2.gz SGUZQOJWQDGNGC-JBCNATCCSA-N 0 3 513.388 4.577 50 30 KJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(Br)cc3)oc21 ZINC000009177559 553216411 /nfs/dbraw/zinc/21/64/11/553216411.db2.gz SGUZQOJWQDGNGC-MRJHHRETSA-N 0 3 513.388 4.577 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000009177920 553216587 /nfs/dbraw/zinc/21/65/87/553216587.db2.gz OXGIOIDTEXNCEE-CJJGVWJISA-N 0 3 510.631 4.646 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009234862 553225237 /nfs/dbraw/zinc/22/52/37/553225237.db2.gz BKEWSUPUMHSDOV-CJJGVWJISA-N 0 3 510.631 4.646 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009234862 553225236 /nfs/dbraw/zinc/22/52/36/553225236.db2.gz BKEWSUPUMHSDOV-CJJGVWJISA-N 0 3 510.631 4.646 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009234864 553225216 /nfs/dbraw/zinc/22/52/16/553225216.db2.gz BKEWSUPUMHSDOV-CZNAVJSXSA-N 0 3 510.631 4.646 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009234864 553225215 /nfs/dbraw/zinc/22/52/15/553225215.db2.gz BKEWSUPUMHSDOV-CZNAVJSXSA-N 0 3 510.631 4.646 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000009236852 553225878 /nfs/dbraw/zinc/22/58/78/553225878.db2.gz MARFRNKYEKBIMI-MUUNZHRXSA-N 0 3 530.621 4.731 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009239944 553226158 /nfs/dbraw/zinc/22/61/58/553226158.db2.gz UWCOJFPVAHVQLW-SANMLTNESA-N 0 3 515.566 4.622 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000009240550 553226123 /nfs/dbraw/zinc/22/61/23/553226123.db2.gz DZEMVHFGOZSEAI-CJJGVWJISA-N 0 3 510.631 4.645 50 30 KJEAHN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCCOc3ccccc3C)cc2)o1 ZINC000009241124 553226381 /nfs/dbraw/zinc/22/63/81/553226381.db2.gz ZWHHMYQAYGVYQP-UUALVTFQSA-N 0 3 518.610 4.728 50 30 KJEAHN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCCOc3ccccc3C)cc2)o1 ZINC000009241127 553226279 /nfs/dbraw/zinc/22/62/79/553226279.db2.gz ZWHHMYQAYGVYQP-ONQGDUAMSA-N 0 3 518.610 4.728 50 30 KJEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000009271565 553230996 /nfs/dbraw/zinc/23/09/96/553230996.db2.gz NNGQFFMSHAGOOF-VWLOTQADSA-N 0 3 510.631 4.577 50 30 KJEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000009271566 553231069 /nfs/dbraw/zinc/23/10/69/553231069.db2.gz NNGQFFMSHAGOOF-RUZDIDTESA-N 0 3 510.631 4.577 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000009275503 553232864 /nfs/dbraw/zinc/23/28/64/553232864.db2.gz MARFRNKYEKBIMI-NDEPHWFRSA-N 0 3 530.621 4.731 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009311991 553239838 /nfs/dbraw/zinc/23/98/38/553239838.db2.gz YQCJYGWANILUKR-KXDYMIPJSA-N 0 3 522.642 4.571 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009311992 553239903 /nfs/dbraw/zinc/23/99/03/553239903.db2.gz YQCJYGWANILUKR-ZLYDLHQSSA-N 0 3 522.642 4.571 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009311993 553239935 /nfs/dbraw/zinc/23/99/35/553239935.db2.gz YQCJYGWANILUKR-NGAXIMOQSA-N 0 3 522.642 4.571 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009311994 553239849 /nfs/dbraw/zinc/23/98/49/553239849.db2.gz YQCJYGWANILUKR-JLPDLQRYSA-N 0 3 522.642 4.571 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(O)cc1 ZINC000009312001 553239961 /nfs/dbraw/zinc/23/99/61/553239961.db2.gz IJXFVKSBCORHIW-HHHXNRCGSA-N 0 3 500.595 4.810 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000009312131 553240081 /nfs/dbraw/zinc/24/00/81/553240081.db2.gz YIWBRZOLMDFLNX-MUUNZHRXSA-N 0 3 530.621 4.818 50 30 KJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009312151 553240107 /nfs/dbraw/zinc/24/01/07/553240107.db2.gz QGXIUNUBNVOAKS-HHHXNRCGSA-N 0 3 500.595 4.810 50 30 KJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009312233 553240087 /nfs/dbraw/zinc/24/00/87/553240087.db2.gz NMUXDOHEDRGMGR-YREDKMEYSA-N 0 3 534.653 4.737 50 30 KJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009312234 553240100 /nfs/dbraw/zinc/24/01/00/553240100.db2.gz NMUXDOHEDRGMGR-YFVVEFNMSA-N 0 3 534.653 4.737 50 30 KJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009312235 553240090 /nfs/dbraw/zinc/24/00/90/553240090.db2.gz NMUXDOHEDRGMGR-FGEDTZIGSA-N 0 3 534.653 4.737 50 30 KJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009312236 553240094 /nfs/dbraw/zinc/24/00/94/553240094.db2.gz NMUXDOHEDRGMGR-LODGOHBISA-N 0 3 534.653 4.737 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000009312277 553240389 /nfs/dbraw/zinc/24/03/89/553240389.db2.gz YUNMIZLYAHYEPY-TXTDGAROSA-N 0 3 530.621 4.662 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000009312381 553240256 /nfs/dbraw/zinc/24/02/56/553240256.db2.gz YINXQVOXWRJZKR-NDEPHWFRSA-N 0 3 530.621 4.731 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000009312382 553240267 /nfs/dbraw/zinc/24/02/67/553240267.db2.gz YINXQVOXWRJZKR-MUUNZHRXSA-N 0 3 530.621 4.731 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000009312383 553240272 /nfs/dbraw/zinc/24/02/72/553240272.db2.gz BQMBSMLQQUTQSW-MHZLTWQESA-N 0 3 500.595 4.810 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009312405 553240372 /nfs/dbraw/zinc/24/03/72/553240372.db2.gz XIJXJIQBNYPZFR-YREDKMEYSA-N 0 3 536.669 4.961 50 30 KJEAHN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009312414 553240324 /nfs/dbraw/zinc/24/03/24/553240324.db2.gz PWWDXOKKJHDOQK-VDLDRNGKSA-N 0 3 506.643 4.952 50 30 KJEAHN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009312415 553240306 /nfs/dbraw/zinc/24/03/06/553240306.db2.gz PWWDXOKKJHDOQK-PMABHTPKSA-N 0 3 506.643 4.952 50 30 KJEAHN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009312416 553240247 /nfs/dbraw/zinc/24/02/47/553240247.db2.gz PWWDXOKKJHDOQK-HGZLRSGXSA-N 0 3 506.643 4.952 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000009312758 553240490 /nfs/dbraw/zinc/24/04/90/553240490.db2.gz WQOIPSUXLOWSJR-CJJGVWJISA-N 0 3 510.631 4.508 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000009312758 553240489 /nfs/dbraw/zinc/24/04/89/553240489.db2.gz WQOIPSUXLOWSJR-CJJGVWJISA-N 0 3 510.631 4.508 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(O)c(OC)c1 ZINC000009312759 553240514 /nfs/dbraw/zinc/24/05/14/553240514.db2.gz WQOIPSUXLOWSJR-CZNAVJSXSA-N 0 3 510.631 4.508 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(O)c(OC)c1 ZINC000009312759 553240512 /nfs/dbraw/zinc/24/05/12/553240512.db2.gz WQOIPSUXLOWSJR-CZNAVJSXSA-N 0 3 510.631 4.508 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000009312959 553240750 /nfs/dbraw/zinc/24/07/50/553240750.db2.gz PHOZGHPFRZUXNC-CJJGVWJISA-N 0 3 510.631 4.508 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000009312960 553240758 /nfs/dbraw/zinc/24/07/58/553240758.db2.gz PHOZGHPFRZUXNC-CZNAVJSXSA-N 0 3 510.631 4.508 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000009312969 553240752 /nfs/dbraw/zinc/24/07/52/553240752.db2.gz QYXZLZXJRPQEJK-NDEPHWFRSA-N 0 3 530.621 4.818 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000009312970 553240694 /nfs/dbraw/zinc/24/06/94/553240694.db2.gz QYXZLZXJRPQEJK-MUUNZHRXSA-N 0 3 530.621 4.818 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(O)cc1 ZINC000009312977 553240745 /nfs/dbraw/zinc/24/07/45/553240745.db2.gz IJXFVKSBCORHIW-MHZLTWQESA-N 0 3 500.595 4.810 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000009313033 553240945 /nfs/dbraw/zinc/24/09/45/553240945.db2.gz YIWBRZOLMDFLNX-NDEPHWFRSA-N 0 3 530.621 4.818 50 30 KJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000009313037 553240967 /nfs/dbraw/zinc/24/09/67/553240967.db2.gz QGXIUNUBNVOAKS-MHZLTWQESA-N 0 3 500.595 4.810 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000009313112 553240929 /nfs/dbraw/zinc/24/09/29/553240929.db2.gz BQMBSMLQQUTQSW-HHHXNRCGSA-N 0 3 500.595 4.810 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009313115 553240915 /nfs/dbraw/zinc/24/09/15/553240915.db2.gz XIJXJIQBNYPZFR-YFVVEFNMSA-N 0 3 536.669 4.961 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009313116 553241028 /nfs/dbraw/zinc/24/10/28/553241028.db2.gz XIJXJIQBNYPZFR-FGEDTZIGSA-N 0 3 536.669 4.961 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000009313117 553241012 /nfs/dbraw/zinc/24/10/12/553241012.db2.gz XIJXJIQBNYPZFR-LODGOHBISA-N 0 3 536.669 4.961 50 30 KJEAHN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000009313122 553241009 /nfs/dbraw/zinc/24/10/09/553241009.db2.gz PWWDXOKKJHDOQK-MNEKTFPPSA-N 0 3 506.643 4.952 50 30 KJEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009329340 553242227 /nfs/dbraw/zinc/24/22/27/553242227.db2.gz AGEIRHXDLDIBDI-MHZLTWQESA-N 0 3 500.595 4.723 50 30 KJEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009329341 553242264 /nfs/dbraw/zinc/24/22/64/553242264.db2.gz AGEIRHXDLDIBDI-HHHXNRCGSA-N 0 3 500.595 4.723 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1F ZINC000009330048 553242404 /nfs/dbraw/zinc/24/24/04/553242404.db2.gz SSCUMPOQHGLDDQ-QFIPXVFZSA-N 0 3 519.411 4.905 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1F ZINC000009330049 553242407 /nfs/dbraw/zinc/24/24/07/553242407.db2.gz SSCUMPOQHGLDDQ-JOCHJYFZSA-N 0 3 519.411 4.905 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009333753 553242857 /nfs/dbraw/zinc/24/28/57/553242857.db2.gz RJDQWDVGUQZGQS-CZNAVJSXSA-N 0 3 520.651 4.888 50 30 KJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009333903 553242894 /nfs/dbraw/zinc/24/28/94/553242894.db2.gz RRRJILMQNBWKMN-ZHHPLPSFSA-N 0 3 513.432 4.777 50 30 KJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000009333904 553242837 /nfs/dbraw/zinc/24/28/37/553242837.db2.gz RRRJILMQNBWKMN-AYWGPLOBSA-N 0 3 513.432 4.777 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009339601 553243714 /nfs/dbraw/zinc/24/37/14/553243714.db2.gz RJDQWDVGUQZGQS-CJJGVWJISA-N 0 3 520.651 4.888 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1 ZINC000009350414 553244998 /nfs/dbraw/zinc/24/49/98/553244998.db2.gz RUNQFWVLGIZWNQ-QFIPXVFZSA-N 0 3 501.421 4.766 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000009350416 553245013 /nfs/dbraw/zinc/24/50/13/553245013.db2.gz RUNQFWVLGIZWNQ-JOCHJYFZSA-N 0 3 501.421 4.766 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000009350961 553245343 /nfs/dbraw/zinc/24/53/43/553245343.db2.gz CPLMIRIKYYERRL-NDEPHWFRSA-N 0 3 530.621 4.731 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000009350963 553245315 /nfs/dbraw/zinc/24/53/15/553245315.db2.gz CPLMIRIKYYERRL-MUUNZHRXSA-N 0 3 530.621 4.731 50 30 KJEAHN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009353084 553245338 /nfs/dbraw/zinc/24/53/38/553245338.db2.gz DRXLMBRZJPJBDU-MHZLTWQESA-N 0 3 528.605 4.501 50 30 KJEAHN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009353085 553245352 /nfs/dbraw/zinc/24/53/52/553245352.db2.gz DRXLMBRZJPJBDU-HHHXNRCGSA-N 0 3 528.605 4.501 50 30 KJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(O)c2)cc1 ZINC000009353286 553245317 /nfs/dbraw/zinc/24/53/17/553245317.db2.gz UKPJDMNFHFQHLK-MHZLTWQESA-N 0 3 500.595 4.810 50 30 KJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009353525 553245627 /nfs/dbraw/zinc/24/56/27/553245627.db2.gz GMOJJHZDPGEBCW-AREMUKBSSA-N 0 3 510.631 4.808 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009353525 553245626 /nfs/dbraw/zinc/24/56/26/553245626.db2.gz GMOJJHZDPGEBCW-AREMUKBSSA-N 0 3 510.631 4.808 50 30 KJEAHN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009353906 553245600 /nfs/dbraw/zinc/24/56/00/553245600.db2.gz AVJBLJARHVPBJE-HRFSGMKKSA-N 0 3 506.643 4.965 50 30 KJEAHN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009353907 553245631 /nfs/dbraw/zinc/24/56/31/553245631.db2.gz AVJBLJARHVPBJE-CCLHPLFOSA-N 0 3 506.643 4.965 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000009354006 553245710 /nfs/dbraw/zinc/24/57/10/553245710.db2.gz BSXDEKSLXOIOQW-NDEPHWFRSA-N 0 3 530.621 4.818 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000009354008 553245759 /nfs/dbraw/zinc/24/57/59/553245759.db2.gz BSXDEKSLXOIOQW-MUUNZHRXSA-N 0 3 530.621 4.818 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000009354280 553245751 /nfs/dbraw/zinc/24/57/51/553245751.db2.gz ZZCAHQYLLIGDER-SANMLTNESA-N 0 3 510.631 4.808 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000009354284 553245718 /nfs/dbraw/zinc/24/57/18/553245718.db2.gz ZZCAHQYLLIGDER-AREMUKBSSA-N 0 3 510.631 4.808 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000009354297 553246005 /nfs/dbraw/zinc/24/60/05/553246005.db2.gz UPBKYVGUQLPVBQ-UUALVTFQSA-N 0 3 524.658 4.898 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000009357117 553246666 /nfs/dbraw/zinc/24/66/66/553246666.db2.gz AELAMUPXMNITAQ-ONQGDUAMSA-N 0 3 500.595 4.735 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000009357117 553246663 /nfs/dbraw/zinc/24/66/63/553246663.db2.gz AELAMUPXMNITAQ-ONQGDUAMSA-N 0 3 500.595 4.735 50 30 KJEAHN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1CCCN(C)C ZINC000009358658 553247604 /nfs/dbraw/zinc/24/76/04/553247604.db2.gz AQHHHKHEKZJSTN-UUALVTFQSA-N 0 3 500.595 4.648 50 30 KJEAHN COc1ccccc1[C@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1CCCN(C)C ZINC000009358661 553247696 /nfs/dbraw/zinc/24/76/96/553247696.db2.gz AQHHHKHEKZJSTN-ONQGDUAMSA-N 0 3 500.595 4.648 50 30 KJEAHN COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 ZINC000009373775 553250538 /nfs/dbraw/zinc/25/05/38/553250538.db2.gz YPOXWMKDPYHCJN-DFXXOVSGSA-N 0 3 530.621 4.575 50 30 KJEAHN COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 ZINC000009373778 553250513 /nfs/dbraw/zinc/25/05/13/553250513.db2.gz YPOXWMKDPYHCJN-TXTDGAROSA-N 0 3 530.621 4.575 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009374575 553250968 /nfs/dbraw/zinc/25/09/68/553250968.db2.gz HQRYEYVFGTZKRU-MHZLTWQESA-N 0 3 500.595 4.723 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009374576 553250972 /nfs/dbraw/zinc/25/09/72/553250972.db2.gz HQRYEYVFGTZKRU-HHHXNRCGSA-N 0 3 500.595 4.723 50 30 KJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(O)c2)cc1 ZINC000009374615 553250980 /nfs/dbraw/zinc/25/09/80/553250980.db2.gz UKPJDMNFHFQHLK-HHHXNRCGSA-N 0 3 500.595 4.810 50 30 KJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009374688 553250948 /nfs/dbraw/zinc/25/09/48/553250948.db2.gz GMOJJHZDPGEBCW-SANMLTNESA-N 0 3 510.631 4.808 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000009374688 553250946 /nfs/dbraw/zinc/25/09/46/553250946.db2.gz GMOJJHZDPGEBCW-SANMLTNESA-N 0 3 510.631 4.808 50 30 KJEAHN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009375094 553251100 /nfs/dbraw/zinc/25/11/00/553251100.db2.gz AVJBLJARHVPBJE-DCFHFQCYSA-N 0 3 506.643 4.965 50 30 KJEAHN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009375095 553251152 /nfs/dbraw/zinc/25/11/52/553251152.db2.gz AVJBLJARHVPBJE-NFQMXDRXSA-N 0 3 506.643 4.965 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000009403384 553255393 /nfs/dbraw/zinc/25/53/93/553255393.db2.gz UPBKYVGUQLPVBQ-ONQGDUAMSA-N 0 3 524.658 4.898 50 30 KJEAHN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009411188 553257508 /nfs/dbraw/zinc/25/75/08/553257508.db2.gz SNWWDFHTVYNKJH-NGOKVRLYSA-N 0 3 512.606 4.729 50 30 KJEAHN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009411189 553257465 /nfs/dbraw/zinc/25/74/65/553257465.db2.gz SNWWDFHTVYNKJH-MMTVBGGISA-N 0 3 512.606 4.729 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 ZINC000009436092 553264351 /nfs/dbraw/zinc/26/43/51/553264351.db2.gz AELAMUPXMNITAQ-UUALVTFQSA-N 0 3 500.595 4.735 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 ZINC000009436092 553264350 /nfs/dbraw/zinc/26/43/50/553264350.db2.gz AELAMUPXMNITAQ-UUALVTFQSA-N 0 3 500.595 4.735 50 30 KJEAHN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009437118 553264569 /nfs/dbraw/zinc/26/45/69/553264569.db2.gz SNWWDFHTVYNKJH-PIIWDFAUSA-N 0 3 512.606 4.729 50 30 KJEAHN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000009437120 553264607 /nfs/dbraw/zinc/26/46/07/553264607.db2.gz SNWWDFHTVYNKJH-WTYVLRPYSA-N 0 3 512.606 4.729 50 30 KJEAHN CCN1CCN(c2ccc(/N=C/c3ccc(OC(=O)c4cc(OC)c(OC)c(OC)c4)c(OC)c3)cc2)CC1 ZINC000009934842 553318366 /nfs/dbraw/zinc/31/83/66/553318366.db2.gz UIKHJNNHYHREKQ-AJBULDERSA-N 0 3 533.625 4.833 50 30 KJEAHN CC1(C)Cc2c(C#N)c(NC(=O)[C@@H](Cc3ccccc3)N3C(=O)c4ccccc4C3=O)sc2C(C)(C)N1 ZINC000010013873 553326172 /nfs/dbraw/zinc/32/61/72/553326172.db2.gz XAUQSGTVYKNGER-JOCHJYFZSA-N 0 3 512.635 4.625 50 30 KJEAHN Cc1csc(C(C#N)C(=O)CSC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)n1 ZINC000012568150 553397723 /nfs/dbraw/zinc/39/77/23/553397723.db2.gz UNOZVVIIUFNRGT-HMQAPQJSSA-N 0 3 516.604 4.842 50 30 KJEAHN Cc1csc(C(C#N)C(=O)CSC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)n1 ZINC000012568151 553397694 /nfs/dbraw/zinc/39/76/94/553397694.db2.gz UNOZVVIIUFNRGT-YYRDAMDZSA-N 0 3 516.604 4.842 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000013451438 553459465 /nfs/dbraw/zinc/45/94/65/553459465.db2.gz VOKJQOORQUHQEA-SANMLTNESA-N 0 3 510.631 4.577 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000013451440 553459443 /nfs/dbraw/zinc/45/94/43/553459443.db2.gz VOKJQOORQUHQEA-AREMUKBSSA-N 0 3 510.631 4.577 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1cccc(Br)c1 ZINC000013551680 553470453 /nfs/dbraw/zinc/47/04/53/553470453.db2.gz IBCGXUHDRLSXGT-QFIPXVFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1cccc(Br)c1 ZINC000013551683 553470436 /nfs/dbraw/zinc/47/04/36/553470436.db2.gz IBCGXUHDRLSXGT-JOCHJYFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCOc1ccc(NC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000013553081 553470892 /nfs/dbraw/zinc/47/08/92/553470892.db2.gz KBKVPAJBYSMFIE-VWLOTQADSA-N 0 3 506.610 4.597 50 30 KJEAHN CCOc1ccc(NC(=O)C(C#N)c2nc3ccccc3nc2N2CCN(Cc3ccccc3)CC2)cc1 ZINC000013553083 553471168 /nfs/dbraw/zinc/47/11/68/553471168.db2.gz KBKVPAJBYSMFIE-RUZDIDTESA-N 0 3 506.610 4.597 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000013571182 553473875 /nfs/dbraw/zinc/47/38/75/553473875.db2.gz ZTJBGXSTHMEBQB-MHZLTWQESA-N 0 3 500.595 4.810 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000013571184 553473889 /nfs/dbraw/zinc/47/38/89/553473889.db2.gz ZTJBGXSTHMEBQB-HHHXNRCGSA-N 0 3 500.595 4.810 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000013595754 553477180 /nfs/dbraw/zinc/47/71/80/553477180.db2.gz LYVOFPIXXVGERF-NDEPHWFRSA-N 0 3 530.621 4.818 50 30 KJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000013712173 553485966 /nfs/dbraw/zinc/48/59/66/553485966.db2.gz MNTIMSJTAGQDTO-FQEVSTJZSA-N 0 3 507.812 4.641 50 30 KJEAHN COc1ccc(-c2csc(C3=C(N)N(CCC4CCN(Cc5ccccc5)CC4)CC3=O)n2)cc1OC ZINC000013726505 553486920 /nfs/dbraw/zinc/48/69/20/553486920.db2.gz KXPPKGOLBXRICQ-UHFFFAOYSA-N 0 3 518.683 4.642 50 30 KJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000016701148 553574740 /nfs/dbraw/zinc/57/47/40/553574740.db2.gz HIPLGAIRJAMIFJ-AREMUKBSSA-N 0 3 510.631 4.721 50 30 KJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000016701148 553574738 /nfs/dbraw/zinc/57/47/38/553574738.db2.gz HIPLGAIRJAMIFJ-AREMUKBSSA-N 0 3 510.631 4.721 50 30 KJEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000016701151 553574762 /nfs/dbraw/zinc/57/47/62/553574762.db2.gz HIPLGAIRJAMIFJ-SANMLTNESA-N 0 3 510.631 4.721 50 30 KJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1 ZINC000016701151 553574761 /nfs/dbraw/zinc/57/47/61/553574761.db2.gz HIPLGAIRJAMIFJ-SANMLTNESA-N 0 3 510.631 4.721 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016730919 553576852 /nfs/dbraw/zinc/57/68/52/553576852.db2.gz GKIAPZFCQIFPRH-SANMLTNESA-N 0 3 510.631 4.803 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(OC)c3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016730922 553576924 /nfs/dbraw/zinc/57/69/24/553576924.db2.gz GKIAPZFCQIFPRH-AREMUKBSSA-N 0 3 510.631 4.803 50 30 KJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1 ZINC000016732577 553577704 /nfs/dbraw/zinc/57/77/04/553577704.db2.gz RVRSGNHVBKFAJW-QHCPKHFHSA-N 0 3 513.432 4.934 50 30 KJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1 ZINC000016732577 553577702 /nfs/dbraw/zinc/57/77/02/553577702.db2.gz RVRSGNHVBKFAJW-QHCPKHFHSA-N 0 3 513.432 4.934 50 30 KJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016732580 553577695 /nfs/dbraw/zinc/57/76/95/553577695.db2.gz RVRSGNHVBKFAJW-HSZRJFAPSA-N 0 3 513.432 4.934 50 30 KJEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000016732580 553577693 /nfs/dbraw/zinc/57/76/93/553577693.db2.gz RVRSGNHVBKFAJW-HSZRJFAPSA-N 0 3 513.432 4.934 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000016733683 553578145 /nfs/dbraw/zinc/57/81/45/553578145.db2.gz ZHAOZXSCLSVJCH-XMMPIXPASA-N 0 3 517.022 4.676 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1Cl ZINC000016733686 553578209 /nfs/dbraw/zinc/57/82/09/553578209.db2.gz ZHAOZXSCLSVJCH-DEOSSOPVSA-N 0 3 517.022 4.676 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)c(OCC)c2)cc1Cl ZINC000016733695 553578153 /nfs/dbraw/zinc/57/81/53/553578153.db2.gz JXJJYZHWVGORMY-XMMPIXPASA-N 0 3 517.022 4.763 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)c(OCC)c2)cc1Cl ZINC000016733698 553578169 /nfs/dbraw/zinc/57/81/69/553578169.db2.gz JXJJYZHWVGORMY-DEOSSOPVSA-N 0 3 517.022 4.763 50 30 KJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000016734870 553578634 /nfs/dbraw/zinc/57/86/34/553578634.db2.gz VKLVOQWSDYPQRU-SANMLTNESA-N 0 3 508.615 4.579 50 30 KJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)c(OC)c2)cc1 ZINC000016734873 553578727 /nfs/dbraw/zinc/57/87/27/553578727.db2.gz VKLVOQWSDYPQRU-AREMUKBSSA-N 0 3 508.615 4.579 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000016735083 553578673 /nfs/dbraw/zinc/57/86/73/553578673.db2.gz BJKSITCYFXAMIH-PPHZAIPVSA-N 0 3 522.642 4.583 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000016735086 553578740 /nfs/dbraw/zinc/57/87/40/553578740.db2.gz BJKSITCYFXAMIH-UZTOHYMASA-N 0 3 522.642 4.583 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000016735090 553578714 /nfs/dbraw/zinc/57/87/14/553578714.db2.gz BJKSITCYFXAMIH-WINIVTDRSA-N 0 3 522.642 4.583 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000016735093 553578694 /nfs/dbraw/zinc/57/86/94/553578694.db2.gz BJKSITCYFXAMIH-XHCCPWGMSA-N 0 3 522.642 4.583 50 30 KJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Oc2ccccc2)c1 ZINC000016741417 553579732 /nfs/dbraw/zinc/57/97/32/553579732.db2.gz ALZSGYKWMFUYED-MHZLTWQESA-N 0 3 514.578 4.780 50 30 KJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Oc2ccccc2)c1 ZINC000016741418 553579729 /nfs/dbraw/zinc/57/97/29/553579729.db2.gz ALZSGYKWMFUYED-HHHXNRCGSA-N 0 3 514.578 4.780 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1Cl ZINC000016741549 553579785 /nfs/dbraw/zinc/57/97/85/553579785.db2.gz MMCKYROKNZXELD-QFIPXVFZSA-N 0 3 505.398 4.685 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1Cl ZINC000016741550 553579818 /nfs/dbraw/zinc/57/98/18/553579818.db2.gz MMCKYROKNZXELD-JOCHJYFZSA-N 0 3 505.398 4.685 50 30 KJEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000016741557 553579711 /nfs/dbraw/zinc/57/97/11/553579711.db2.gz NDFQDBGCONPTCF-MHZLTWQESA-N 0 3 522.642 4.947 50 30 KJEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016741557 553579709 /nfs/dbraw/zinc/57/97/09/553579709.db2.gz NDFQDBGCONPTCF-MHZLTWQESA-N 0 3 522.642 4.947 50 30 KJEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(CC)CC)cc1 ZINC000016741558 553579748 /nfs/dbraw/zinc/57/97/48/553579748.db2.gz NDFQDBGCONPTCF-HHHXNRCGSA-N 0 3 522.642 4.947 50 30 KJEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000016741558 553579747 /nfs/dbraw/zinc/57/97/47/553579747.db2.gz NDFQDBGCONPTCF-HHHXNRCGSA-N 0 3 522.642 4.947 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000017124446 553588390 /nfs/dbraw/zinc/58/83/90/553588390.db2.gz KTTCKVCKNBXZBH-AREMUKBSSA-N 0 3 510.631 4.721 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000017124449 553588460 /nfs/dbraw/zinc/58/84/60/553588460.db2.gz KTTCKVCKNBXZBH-SANMLTNESA-N 0 3 510.631 4.721 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000018203812 553610175 /nfs/dbraw/zinc/61/01/75/553610175.db2.gz JKWOVSOSIODADJ-AREMUKBSSA-N 0 3 510.631 4.664 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000019938341 553637873 /nfs/dbraw/zinc/63/78/73/553637873.db2.gz XPLQPZJDRKTVPQ-SANMLTNESA-N 0 3 510.631 4.664 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000019938342 553637869 /nfs/dbraw/zinc/63/78/69/553637869.db2.gz XPLQPZJDRKTVPQ-AREMUKBSSA-N 0 3 510.631 4.664 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000019972618 553649466 /nfs/dbraw/zinc/64/94/66/553649466.db2.gz JKWOVSOSIODADJ-SANMLTNESA-N 0 3 510.631 4.664 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000020029271 553664079 /nfs/dbraw/zinc/66/40/79/553664079.db2.gz XCITXMJNHIDVAC-SANMLTNESA-N 0 3 510.631 4.807 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000020029271 553664078 /nfs/dbraw/zinc/66/40/78/553664078.db2.gz XCITXMJNHIDVAC-SANMLTNESA-N 0 3 510.631 4.807 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000020029272 553664094 /nfs/dbraw/zinc/66/40/94/553664094.db2.gz XCITXMJNHIDVAC-AREMUKBSSA-N 0 3 510.631 4.807 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000020029272 553664092 /nfs/dbraw/zinc/66/40/92/553664092.db2.gz XCITXMJNHIDVAC-AREMUKBSSA-N 0 3 510.631 4.807 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccc(OC)c1OC ZINC000020029441 553664116 /nfs/dbraw/zinc/66/41/16/553664116.db2.gz BLEIFNMSXQAMQE-VWLOTQADSA-N 0 3 510.631 4.720 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccc(OC)c1OC ZINC000020029442 553664133 /nfs/dbraw/zinc/66/41/33/553664133.db2.gz BLEIFNMSXQAMQE-RUZDIDTESA-N 0 3 510.631 4.720 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020065030 553675359 /nfs/dbraw/zinc/67/53/59/553675359.db2.gz NGBGZOPEARMEBM-MHZLTWQESA-N 0 3 524.658 4.967 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020065031 553675352 /nfs/dbraw/zinc/67/53/52/553675352.db2.gz NGBGZOPEARMEBM-HHHXNRCGSA-N 0 3 524.658 4.967 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020065324 553675410 /nfs/dbraw/zinc/67/54/10/553675410.db2.gz FONHQJDRMOPMII-MHZLTWQESA-N 0 3 524.658 4.967 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020065326 553675447 /nfs/dbraw/zinc/67/54/47/553675447.db2.gz FONHQJDRMOPMII-HHHXNRCGSA-N 0 3 524.658 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(O)c(OC)c1 ZINC000020065330 553675393 /nfs/dbraw/zinc/67/53/93/553675393.db2.gz CXWSQZUWRBYJAO-SANMLTNESA-N 0 3 510.631 4.664 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(O)c(OC)c1 ZINC000020065330 553675390 /nfs/dbraw/zinc/67/53/90/553675390.db2.gz CXWSQZUWRBYJAO-SANMLTNESA-N 0 3 510.631 4.664 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000020065332 553675437 /nfs/dbraw/zinc/67/54/37/553675437.db2.gz CXWSQZUWRBYJAO-AREMUKBSSA-N 0 3 510.631 4.664 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(O)c(OC)c1 ZINC000020065332 553675433 /nfs/dbraw/zinc/67/54/33/553675433.db2.gz CXWSQZUWRBYJAO-AREMUKBSSA-N 0 3 510.631 4.664 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Br)c1 ZINC000020080325 553678583 /nfs/dbraw/zinc/67/85/83/553678583.db2.gz VJMCOZXJRAAWIN-QFIPXVFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Br)c1 ZINC000020080325 553678580 /nfs/dbraw/zinc/67/85/80/553678580.db2.gz VJMCOZXJRAAWIN-QFIPXVFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Br)c1 ZINC000020080329 553678553 /nfs/dbraw/zinc/67/85/53/553678553.db2.gz VJMCOZXJRAAWIN-JOCHJYFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Br)c1 ZINC000020080329 553678552 /nfs/dbraw/zinc/67/85/52/553678552.db2.gz VJMCOZXJRAAWIN-JOCHJYFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020080914 553679592 /nfs/dbraw/zinc/67/95/92/553679592.db2.gz WTGDJOTXYMVECB-MHZLTWQESA-N 0 3 524.658 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000020080916 553679644 /nfs/dbraw/zinc/67/96/44/553679644.db2.gz WTGDJOTXYMVECB-HHHXNRCGSA-N 0 3 524.658 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(Br)cc1 ZINC000020082366 553681514 /nfs/dbraw/zinc/68/15/14/553681514.db2.gz XEKQGQJGJMLSRW-QFIPXVFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(Br)cc1 ZINC000020082370 553681556 /nfs/dbraw/zinc/68/15/56/553681556.db2.gz XEKQGQJGJMLSRW-JOCHJYFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000020100139 553686831 /nfs/dbraw/zinc/68/68/31/553686831.db2.gz LYVOFPIXXVGERF-MUUNZHRXSA-N 0 3 530.621 4.818 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000020102246 553687308 /nfs/dbraw/zinc/68/73/08/553687308.db2.gz TYMJDKRHZVPRSQ-SANMLTNESA-N 0 3 510.631 4.664 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000020102246 553687305 /nfs/dbraw/zinc/68/73/05/553687305.db2.gz TYMJDKRHZVPRSQ-SANMLTNESA-N 0 3 510.631 4.664 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000020102249 553687394 /nfs/dbraw/zinc/68/73/94/553687394.db2.gz TYMJDKRHZVPRSQ-AREMUKBSSA-N 0 3 510.631 4.664 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000020102249 553687392 /nfs/dbraw/zinc/68/73/92/553687392.db2.gz TYMJDKRHZVPRSQ-AREMUKBSSA-N 0 3 510.631 4.664 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(Br)cc1 ZINC000020102515 553687705 /nfs/dbraw/zinc/68/77/05/553687705.db2.gz ZMSYGGGZIKHLOI-QFIPXVFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(Br)cc1 ZINC000020102518 553687699 /nfs/dbraw/zinc/68/76/99/553687699.db2.gz ZMSYGGGZIKHLOI-JOCHJYFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000020102845 553687652 /nfs/dbraw/zinc/68/76/52/553687652.db2.gz KIJGFMSMKCRDJP-NDEPHWFRSA-N 0 3 530.621 4.818 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000020102848 553687630 /nfs/dbraw/zinc/68/76/30/553687630.db2.gz KIJGFMSMKCRDJP-MUUNZHRXSA-N 0 3 530.621 4.818 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020129933 553591323 /nfs/dbraw/zinc/59/13/23/553591323.db2.gz YEEUWDPDQYVWGK-MHZLTWQESA-N 0 3 524.658 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020129933 553591320 /nfs/dbraw/zinc/59/13/20/553591320.db2.gz YEEUWDPDQYVWGK-MHZLTWQESA-N 0 3 524.658 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000020129935 553591398 /nfs/dbraw/zinc/59/13/98/553591398.db2.gz YEEUWDPDQYVWGK-HHHXNRCGSA-N 0 3 524.658 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000020129935 553591396 /nfs/dbraw/zinc/59/13/96/553591396.db2.gz YEEUWDPDQYVWGK-HHHXNRCGSA-N 0 3 524.658 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020130602 553591373 /nfs/dbraw/zinc/59/13/73/553591373.db2.gz LADRTMZWSONRBC-VWLOTQADSA-N 0 3 509.603 4.858 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000020130605 553591302 /nfs/dbraw/zinc/59/13/02/553591302.db2.gz LADRTMZWSONRBC-RUZDIDTESA-N 0 3 509.603 4.858 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020130752 553591345 /nfs/dbraw/zinc/59/13/45/553591345.db2.gz SFTGZOWJUDYQKM-VWLOTQADSA-N 0 3 509.603 4.858 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020130756 553591413 /nfs/dbraw/zinc/59/14/13/553591413.db2.gz SFTGZOWJUDYQKM-RUZDIDTESA-N 0 3 509.603 4.858 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000020130778 553591388 /nfs/dbraw/zinc/59/13/88/553591388.db2.gz SGCMUQXFHQWDDP-VWLOTQADSA-N 0 3 509.603 4.858 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000020130782 553591417 /nfs/dbraw/zinc/59/14/17/553591417.db2.gz SGCMUQXFHQWDDP-RUZDIDTESA-N 0 3 509.603 4.858 50 30 KJEAHN CCN(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 553614743 /nfs/dbraw/zinc/61/47/43/553614743.db2.gz KIFXXIICNRKANK-DEOSSOPVSA-N 0 3 509.647 4.636 50 30 KJEAHN CCN(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 553614740 /nfs/dbraw/zinc/61/47/40/553614740.db2.gz KIFXXIICNRKANK-DEOSSOPVSA-N 0 3 509.647 4.636 50 30 KJEAHN CCN(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 553614711 /nfs/dbraw/zinc/61/47/11/553614711.db2.gz KIFXXIICNRKANK-XMMPIXPASA-N 0 3 509.647 4.636 50 30 KJEAHN CCN(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 553614708 /nfs/dbraw/zinc/61/47/08/553614708.db2.gz KIFXXIICNRKANK-XMMPIXPASA-N 0 3 509.647 4.636 50 30 KJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(Br)c3)oc21 ZINC000020219408 553615108 /nfs/dbraw/zinc/61/51/08/553615108.db2.gz QWJIYQLGDOGWGZ-OAQYLSRUSA-N 0 3 513.388 4.734 50 30 KJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(Br)c3)oc21 ZINC000020219409 553615156 /nfs/dbraw/zinc/61/51/56/553615156.db2.gz QWJIYQLGDOGWGZ-NRFANRHFSA-N 0 3 513.388 4.734 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000020219469 553615159 /nfs/dbraw/zinc/61/51/59/553615159.db2.gz DTVFBZAOQCLZTF-AREMUKBSSA-N 0 3 510.631 4.803 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OCC)c(OCC)c2)cc1 ZINC000020219470 553615090 /nfs/dbraw/zinc/61/50/90/553615090.db2.gz DTVFBZAOQCLZTF-SANMLTNESA-N 0 3 510.631 4.803 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000020219539 553615447 /nfs/dbraw/zinc/61/54/47/553615447.db2.gz YGQDZIOFUVQDNA-MHZLTWQESA-N 0 3 518.610 4.966 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1ccc(OCCOc2ccccc2C)cc1 ZINC000020219540 553615382 /nfs/dbraw/zinc/61/53/82/553615382.db2.gz YGQDZIOFUVQDNA-HHHXNRCGSA-N 0 3 518.610 4.966 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020219541 553615500 /nfs/dbraw/zinc/61/55/00/553615500.db2.gz QCQNRELOTKYZTL-SANMLTNESA-N 0 3 510.631 4.801 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020219542 553615443 /nfs/dbraw/zinc/61/54/43/553615443.db2.gz QCQNRELOTKYZTL-AREMUKBSSA-N 0 3 510.631 4.801 50 30 KJEAHN COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 ZINC000020219610 553615439 /nfs/dbraw/zinc/61/54/39/553615439.db2.gz BJUQRWBIBMJLNE-MUUNZHRXSA-N 0 3 530.621 4.731 50 30 KJEAHN COc1cccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCc3ccc(C)cc3)c(OC)c2)c1 ZINC000020219611 553615404 /nfs/dbraw/zinc/61/54/04/553615404.db2.gz BJUQRWBIBMJLNE-NDEPHWFRSA-N 0 3 530.621 4.731 50 30 KJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(Br)cc3)oc21 ZINC000020219811 553615794 /nfs/dbraw/zinc/61/57/94/553615794.db2.gz UAGRYCULBQCCGW-OAQYLSRUSA-N 0 3 513.388 4.734 50 30 KJEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(Br)cc3)oc21 ZINC000020219812 553615706 /nfs/dbraw/zinc/61/57/06/553615706.db2.gz UAGRYCULBQCCGW-NRFANRHFSA-N 0 3 513.388 4.734 50 30 KJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000020228050 553616308 /nfs/dbraw/zinc/61/63/08/553616308.db2.gz MNTIMSJTAGQDTO-HXUWFJFHSA-N 0 3 507.812 4.641 50 30 KJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000020228681 553616767 /nfs/dbraw/zinc/61/67/67/553616767.db2.gz OCTBDQUVBIQBKK-HXUWFJFHSA-N 0 3 507.812 4.641 50 30 KJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000020228684 553616627 /nfs/dbraw/zinc/61/66/27/553616627.db2.gz OCTBDQUVBIQBKK-FQEVSTJZSA-N 0 3 507.812 4.641 50 30 KJEAHN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCCOc3ccccc3C)cc2)o1 ZINC000020229037 553616634 /nfs/dbraw/zinc/61/66/34/553616634.db2.gz CUGUBUSFIUDTPM-MHZLTWQESA-N 0 3 518.610 4.884 50 30 KJEAHN Cc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCCOc3ccccc3C)cc2)o1 ZINC000020229039 553616783 /nfs/dbraw/zinc/61/67/83/553616783.db2.gz CUGUBUSFIUDTPM-HHHXNRCGSA-N 0 3 518.610 4.884 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020229240 553616699 /nfs/dbraw/zinc/61/66/99/553616699.db2.gz ICYNVEFWOSNFBE-NDEPHWFRSA-N 0 3 514.622 4.983 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020229242 553616751 /nfs/dbraw/zinc/61/67/51/553616751.db2.gz ICYNVEFWOSNFBE-MUUNZHRXSA-N 0 3 514.622 4.983 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Br)c2)cc1 ZINC000020229267 553616820 /nfs/dbraw/zinc/61/68/20/553616820.db2.gz TZKANLBQTMYQMY-JOCHJYFZSA-N 0 3 501.421 4.768 50 30 KJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc(Br)c2)cc1 ZINC000020229267 553616819 /nfs/dbraw/zinc/61/68/19/553616819.db2.gz TZKANLBQTMYQMY-JOCHJYFZSA-N 0 3 501.421 4.768 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Br)c2)cc1 ZINC000020229269 553616655 /nfs/dbraw/zinc/61/66/55/553616655.db2.gz TZKANLBQTMYQMY-QFIPXVFZSA-N 0 3 501.421 4.768 50 30 KJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc(Br)c2)cc1 ZINC000020229269 553616652 /nfs/dbraw/zinc/61/66/52/553616652.db2.gz TZKANLBQTMYQMY-QFIPXVFZSA-N 0 3 501.421 4.768 50 30 KJEAHN CC(C)Oc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020230176 553617120 /nfs/dbraw/zinc/61/71/20/553617120.db2.gz DWHCXDRGWFBTRI-QFIPXVFZSA-N 0 3 501.421 4.766 50 30 KJEAHN CC(C)Oc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020230179 553617020 /nfs/dbraw/zinc/61/70/20/553617020.db2.gz DWHCXDRGWFBTRI-JOCHJYFZSA-N 0 3 501.421 4.766 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020230781 553617415 /nfs/dbraw/zinc/61/74/15/553617415.db2.gz NPKLLJYGTNNTNZ-SANMLTNESA-N 0 3 510.631 4.803 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020230781 553617411 /nfs/dbraw/zinc/61/74/11/553617411.db2.gz NPKLLJYGTNNTNZ-SANMLTNESA-N 0 3 510.631 4.803 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020230785 553617566 /nfs/dbraw/zinc/61/75/66/553617566.db2.gz NPKLLJYGTNNTNZ-AREMUKBSSA-N 0 3 510.631 4.803 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000020230785 553617564 /nfs/dbraw/zinc/61/75/64/553617564.db2.gz NPKLLJYGTNNTNZ-AREMUKBSSA-N 0 3 510.631 4.803 50 30 KJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020231665 553617388 /nfs/dbraw/zinc/61/73/88/553617388.db2.gz BUIOOBOVPDXBDQ-QHCPKHFHSA-N 0 3 513.432 4.934 50 30 KJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1 ZINC000020231668 553617472 /nfs/dbraw/zinc/61/74/72/553617472.db2.gz BUIOOBOVPDXBDQ-HSZRJFAPSA-N 0 3 513.432 4.934 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000020232208 553618104 /nfs/dbraw/zinc/61/81/04/553618104.db2.gz IUELNAXVAHFMBQ-NDEPHWFRSA-N 0 3 530.621 4.818 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000020232214 553618024 /nfs/dbraw/zinc/61/80/24/553618024.db2.gz IUELNAXVAHFMBQ-MUUNZHRXSA-N 0 3 530.621 4.818 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020264172 553629823 /nfs/dbraw/zinc/62/98/23/553629823.db2.gz RUSRGMJQQWHLDP-SANMLTNESA-N 0 3 504.583 4.576 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020264175 553629782 /nfs/dbraw/zinc/62/97/82/553629782.db2.gz RUSRGMJQQWHLDP-AREMUKBSSA-N 0 3 504.583 4.576 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000020264924 553629756 /nfs/dbraw/zinc/62/97/56/553629756.db2.gz ZMUXSTNNYFJCIX-JOCHJYFZSA-N 0 3 501.421 4.768 50 30 KJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000020264924 553629753 /nfs/dbraw/zinc/62/97/53/553629753.db2.gz ZMUXSTNNYFJCIX-JOCHJYFZSA-N 0 3 501.421 4.768 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1 ZINC000020264927 553629805 /nfs/dbraw/zinc/62/98/05/553629805.db2.gz ZMUXSTNNYFJCIX-QFIPXVFZSA-N 0 3 501.421 4.768 50 30 KJEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1 ZINC000020264927 553629804 /nfs/dbraw/zinc/62/98/04/553629804.db2.gz ZMUXSTNNYFJCIX-QFIPXVFZSA-N 0 3 501.421 4.768 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020280719 553630995 /nfs/dbraw/zinc/63/09/95/553630995.db2.gz INSFIEHGVFYDKZ-SANMLTNESA-N 0 3 510.631 4.801 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020280722 553631023 /nfs/dbraw/zinc/63/10/23/553631023.db2.gz INSFIEHGVFYDKZ-AREMUKBSSA-N 0 3 510.631 4.801 50 30 KJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020281330 553630967 /nfs/dbraw/zinc/63/09/67/553630967.db2.gz IGEQNXJLZOWQPD-QFIPXVFZSA-N 0 3 501.421 4.768 50 30 KJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020281335 553631086 /nfs/dbraw/zinc/63/10/86/553631086.db2.gz IGEQNXJLZOWQPD-JOCHJYFZSA-N 0 3 501.421 4.768 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020308037 553636141 /nfs/dbraw/zinc/63/61/41/553636141.db2.gz JUHIHJANYCDUAG-MHZLTWQESA-N 0 3 518.585 4.732 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020308039 553636059 /nfs/dbraw/zinc/63/60/59/553636059.db2.gz JUHIHJANYCDUAG-HHHXNRCGSA-N 0 3 518.585 4.732 50 30 KJEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020324580 553638484 /nfs/dbraw/zinc/63/84/84/553638484.db2.gz UYTYZALAHPQKLT-MHZLTWQESA-N 0 3 522.642 4.947 50 30 KJEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020324586 553638499 /nfs/dbraw/zinc/63/84/99/553638499.db2.gz UYTYZALAHPQKLT-HHHXNRCGSA-N 0 3 522.642 4.947 50 30 KJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000020324659 553638556 /nfs/dbraw/zinc/63/85/56/553638556.db2.gz YBKRBNWAZVLEEZ-NDEPHWFRSA-N 0 3 528.605 4.567 50 30 KJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000020324665 553638581 /nfs/dbraw/zinc/63/85/81/553638581.db2.gz YBKRBNWAZVLEEZ-MUUNZHRXSA-N 0 3 528.605 4.567 50 30 KJEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020324887 553638572 /nfs/dbraw/zinc/63/85/72/553638572.db2.gz GFBVGWKMTZZXLW-SANMLTNESA-N 0 3 508.615 4.557 50 30 KJEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020324891 553638597 /nfs/dbraw/zinc/63/85/97/553638597.db2.gz GFBVGWKMTZZXLW-AREMUKBSSA-N 0 3 508.615 4.557 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020328187 553639014 /nfs/dbraw/zinc/63/90/14/553639014.db2.gz NGHRUMOAVWRHSV-PPHZAIPVSA-N 0 3 522.642 4.728 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020328193 553639059 /nfs/dbraw/zinc/63/90/59/553639059.db2.gz NGHRUMOAVWRHSV-UZTOHYMASA-N 0 3 522.642 4.728 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020328199 553639137 /nfs/dbraw/zinc/63/91/37/553639137.db2.gz NGHRUMOAVWRHSV-WINIVTDRSA-N 0 3 522.642 4.728 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020328205 553639104 /nfs/dbraw/zinc/63/91/04/553639104.db2.gz NGHRUMOAVWRHSV-XHCCPWGMSA-N 0 3 522.642 4.728 50 30 KJEAHN CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020328896 553639113 /nfs/dbraw/zinc/63/91/13/553639113.db2.gz XAQILHZDOSNAKB-SANMLTNESA-N 0 3 508.615 4.557 50 30 KJEAHN CCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000020328901 553639073 /nfs/dbraw/zinc/63/90/73/553639073.db2.gz XAQILHZDOSNAKB-AREMUKBSSA-N 0 3 508.615 4.557 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000020331967 553639825 /nfs/dbraw/zinc/63/98/25/553639825.db2.gz NZRWCGWXLCVHQJ-MHZLTWQESA-N 0 3 522.642 4.803 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000020331972 553639839 /nfs/dbraw/zinc/63/98/39/553639839.db2.gz NZRWCGWXLCVHQJ-HHHXNRCGSA-N 0 3 522.642 4.803 50 30 KJEAHN COc1ccccc1[C@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1CCCN(C)C ZINC000020390173 553644663 /nfs/dbraw/zinc/64/46/63/553644663.db2.gz SIFCFIHZSRBEOK-MHZLTWQESA-N 0 3 500.595 4.804 50 30 KJEAHN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OCc3ccccc3)cc2)=C(O)C(=O)N1CCCN(C)C ZINC000020390181 553644648 /nfs/dbraw/zinc/64/46/48/553644648.db2.gz SIFCFIHZSRBEOK-HHHXNRCGSA-N 0 3 500.595 4.804 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020391135 553645103 /nfs/dbraw/zinc/64/51/03/553645103.db2.gz VLXPXJVDEYCMSP-PPHZAIPVSA-N 0 3 522.642 4.728 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020391140 553645007 /nfs/dbraw/zinc/64/50/07/553645007.db2.gz VLXPXJVDEYCMSP-UZTOHYMASA-N 0 3 522.642 4.728 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020391144 553645066 /nfs/dbraw/zinc/64/50/66/553645066.db2.gz VLXPXJVDEYCMSP-WINIVTDRSA-N 0 3 522.642 4.728 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020391149 553645130 /nfs/dbraw/zinc/64/51/30/553645130.db2.gz VLXPXJVDEYCMSP-XHCCPWGMSA-N 0 3 522.642 4.728 50 30 KJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020391969 553645114 /nfs/dbraw/zinc/64/51/14/553645114.db2.gz CSYSZSICDFKFPF-MMTVBGGISA-N 0 3 534.653 4.894 50 30 KJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020391972 553645142 /nfs/dbraw/zinc/64/51/42/553645142.db2.gz CSYSZSICDFKFPF-WTYVLRPYSA-N 0 3 534.653 4.894 50 30 KJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020391975 553645097 /nfs/dbraw/zinc/64/50/97/553645097.db2.gz CSYSZSICDFKFPF-NGOKVRLYSA-N 0 3 534.653 4.894 50 30 KJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000020391978 553645138 /nfs/dbraw/zinc/64/51/38/553645138.db2.gz CSYSZSICDFKFPF-PIIWDFAUSA-N 0 3 534.653 4.894 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000020395192 553645730 /nfs/dbraw/zinc/64/57/30/553645730.db2.gz RHYAQUGOFLDUTF-MHZLTWQESA-N 0 3 500.595 4.891 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@@H]1c1ccc(O)cc1 ZINC000020395192 553645727 /nfs/dbraw/zinc/64/57/27/553645727.db2.gz RHYAQUGOFLDUTF-MHZLTWQESA-N 0 3 500.595 4.891 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 ZINC000020395196 553645687 /nfs/dbraw/zinc/64/56/87/553645687.db2.gz RHYAQUGOFLDUTF-HHHXNRCGSA-N 0 3 500.595 4.891 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCc3ccccc3)cc2)[C@H]1c1ccc(O)cc1 ZINC000020395196 553645685 /nfs/dbraw/zinc/64/56/85/553645685.db2.gz RHYAQUGOFLDUTF-HHHXNRCGSA-N 0 3 500.595 4.891 50 30 KJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020395355 553645663 /nfs/dbraw/zinc/64/56/63/553645663.db2.gz QUOXISUNUMBXHQ-PPHZAIPVSA-N 0 3 520.626 4.504 50 30 KJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020395358 553645714 /nfs/dbraw/zinc/64/57/14/553645714.db2.gz QUOXISUNUMBXHQ-UZTOHYMASA-N 0 3 520.626 4.504 50 30 KJEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020395361 553645755 /nfs/dbraw/zinc/64/57/55/553645755.db2.gz QUOXISUNUMBXHQ-WINIVTDRSA-N 0 3 520.626 4.504 50 30 KJEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000020395365 553645701 /nfs/dbraw/zinc/64/57/01/553645701.db2.gz QUOXISUNUMBXHQ-XHCCPWGMSA-N 0 3 520.626 4.504 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000020519231 553668715 /nfs/dbraw/zinc/66/87/15/553668715.db2.gz ZNKDUIAOVDXNEO-PPHZAIPVSA-N 0 3 522.642 4.728 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000020519233 553668759 /nfs/dbraw/zinc/66/87/59/553668759.db2.gz ZNKDUIAOVDXNEO-UZTOHYMASA-N 0 3 522.642 4.728 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000020519235 553668734 /nfs/dbraw/zinc/66/87/34/553668734.db2.gz ZNKDUIAOVDXNEO-WINIVTDRSA-N 0 3 522.642 4.728 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000020519237 553668743 /nfs/dbraw/zinc/66/87/43/553668743.db2.gz ZNKDUIAOVDXNEO-XHCCPWGMSA-N 0 3 522.642 4.728 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000020533205 553670739 /nfs/dbraw/zinc/67/07/39/553670739.db2.gz GSFZZMJIFVDQQQ-MMTVBGGISA-N 0 3 536.669 4.974 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000020533206 553670601 /nfs/dbraw/zinc/67/06/01/553670601.db2.gz GSFZZMJIFVDQQQ-WTYVLRPYSA-N 0 3 536.669 4.974 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000020533207 553670615 /nfs/dbraw/zinc/67/06/15/553670615.db2.gz GSFZZMJIFVDQQQ-NGOKVRLYSA-N 0 3 536.669 4.974 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000020533208 553670731 /nfs/dbraw/zinc/67/07/31/553670731.db2.gz GSFZZMJIFVDQQQ-PIIWDFAUSA-N 0 3 536.669 4.974 50 30 KJEAHN CCc1cccc(CC)c1NC(=S)N/N=C1/c2ccccc2N(CN2CCN(C3CCCCC3)CC2)C1=O ZINC000020685327 553688572 /nfs/dbraw/zinc/68/85/72/553688572.db2.gz JSTLDWTVEBFOHP-BLCKFSMSSA-N 0 3 532.758 4.757 50 30 KJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080554 553788452 /nfs/dbraw/zinc/78/84/52/553788452.db2.gz QFIHZGGYQGTURA-QHCPKHFHSA-N 0 3 513.432 4.852 50 30 KJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080556 553788416 /nfs/dbraw/zinc/78/84/16/553788416.db2.gz QFIHZGGYQGTURA-HSZRJFAPSA-N 0 3 513.432 4.852 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080769 553788815 /nfs/dbraw/zinc/78/88/15/553788815.db2.gz MIWGBSUMZSLUIX-JOCHJYFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)c(C)c1 ZINC000024080771 553788821 /nfs/dbraw/zinc/78/88/21/553788821.db2.gz MIWGBSUMZSLUIX-QFIPXVFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000024080867 553788805 /nfs/dbraw/zinc/78/88/05/553788805.db2.gz WCFRWOOWHWKDNH-AREMUKBSSA-N 0 3 510.631 4.721 50 30 KJEAHN CCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000024080870 553788775 /nfs/dbraw/zinc/78/87/75/553788775.db2.gz WCFRWOOWHWKDNH-SANMLTNESA-N 0 3 510.631 4.721 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024081281 553788766 /nfs/dbraw/zinc/78/87/66/553788766.db2.gz GWHSWTMFGWLGLM-JOCHJYFZSA-N 0 3 501.421 4.686 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081284 553788783 /nfs/dbraw/zinc/78/87/83/553788783.db2.gz GWHSWTMFGWLGLM-QFIPXVFZSA-N 0 3 501.421 4.686 50 30 KJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1C ZINC000024081374 553789153 /nfs/dbraw/zinc/78/91/53/553789153.db2.gz DENPLKNSHMKCDO-QHCPKHFHSA-N 0 3 513.432 4.852 50 30 KJEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1C ZINC000024081376 553789076 /nfs/dbraw/zinc/78/90/76/553789076.db2.gz DENPLKNSHMKCDO-HSZRJFAPSA-N 0 3 513.432 4.852 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000024146945 553789002 /nfs/dbraw/zinc/78/90/02/553789002.db2.gz VIPZOVSGUNJTGH-PPHZAIPVSA-N 0 3 522.642 4.728 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000024146950 553789080 /nfs/dbraw/zinc/78/90/80/553789080.db2.gz VIPZOVSGUNJTGH-UZTOHYMASA-N 0 3 522.642 4.728 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000024146956 553789036 /nfs/dbraw/zinc/78/90/36/553789036.db2.gz VIPZOVSGUNJTGH-WINIVTDRSA-N 0 3 522.642 4.728 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000024146961 553789135 /nfs/dbraw/zinc/78/91/35/553789135.db2.gz VIPZOVSGUNJTGH-XHCCPWGMSA-N 0 3 522.642 4.728 50 30 KJEAHN C/C(=N\N=C(N)N)[C@@H](C[NH+](CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025586033 553812199 /nfs/dbraw/zinc/81/21/99/553812199.db2.gz WUXKBQSQNLFGIO-LVPSPYOXSA-N 0 3 505.663 4.510 50 30 KJEAHN C/C(=N\N=C(N)N)[C@H](C[NH+](CC(C)C)CC(C)C)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000025586038 553812219 /nfs/dbraw/zinc/81/22/19/553812219.db2.gz WUXKBQSQNLFGIO-ADIFHMARSA-N 0 3 505.663 4.510 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)c(OCC)c2)c(C)c1 ZINC000026841665 553821590 /nfs/dbraw/zinc/82/15/90/553821590.db2.gz BKVRGCMAPSKZNJ-AREMUKBSSA-N 0 3 510.631 4.808 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)c(OCC)c2)c(C)c1 ZINC000026841672 553821708 /nfs/dbraw/zinc/82/17/08/553821708.db2.gz BKVRGCMAPSKZNJ-SANMLTNESA-N 0 3 510.631 4.808 50 30 KJEAHN C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@@]2(C)[C@@H]3C(=O)CC[C@@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000030727788 553855671 /nfs/dbraw/zinc/85/56/71/553855671.db2.gz LLYYNOVSVPBRGV-MVNKZKPCSA-N 0 3 564.833 4.504 50 30 in-man KJEAHN COc1ccc(C(=O)OCC#CCN(C)[C@H]2CCc3cc(OC)c(OC)c(OC)c3-c3ccc(OC)c(=O)cc32)cc1 ZINC000033353654 553926443 /nfs/dbraw/zinc/92/64/43/553926443.db2.gz WFDVTDMCODNHNA-SANMLTNESA-N 0 3 573.642 4.536 50 30 biogenic KJEAHN COc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000035569261 554061413 /nfs/dbraw/zinc/06/14/13/554061413.db2.gz FTKDHRMKUASTEP-LJQANCHMSA-N 0 3 511.445 4.580 50 30 KJEAHN COc1ccccc1N1CCN(CC(=O)C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000035569262 554061540 /nfs/dbraw/zinc/06/15/40/554061540.db2.gz FTKDHRMKUASTEP-IBGZPJMESA-N 0 3 511.445 4.580 50 30 KJEAHN 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 554337496 /nfs/dbraw/zinc/33/74/96/554337496.db2.gz NCUAZWGHHQXGPV-FYSMJZIKSA-N 0 3 573.484 4.797 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000053335373 554341140 /nfs/dbraw/zinc/34/11/40/554341140.db2.gz VDMWKBSRRQEINZ-LJAQVGFWSA-N 0 3 542.632 4.957 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000053335378 554340973 /nfs/dbraw/zinc/34/09/73/554340973.db2.gz VDMWKBSRRQEINZ-GDLZYMKVSA-N 0 3 542.632 4.957 50 30 KJEAHN C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NCc1ccc2c(c1)OCO2)C1=CCOC1=O ZINC000059101706 554378149 /nfs/dbraw/zinc/37/81/49/554378149.db2.gz UFBOFDTZELUFGK-PPGXDPOHSA-N 0 3 567.679 4.630 50 30 biogenic KJEAHN C=C1CC[C@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@H](NCc1ccc2c(c1)OCO2)C1=CCOC1=O ZINC000059101708 554378210 /nfs/dbraw/zinc/37/82/10/554378210.db2.gz UFBOFDTZELUFGK-PBBVDRSZSA-N 0 3 567.679 4.630 50 30 biogenic KJEAHN C=C1CC[C@@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@@H](NCc1ccc2c(c1)OCO2)C1=CCOC1=O ZINC000059101710 554378100 /nfs/dbraw/zinc/37/81/00/554378100.db2.gz UFBOFDTZELUFGK-UACBKSKYSA-N 0 3 567.679 4.630 50 30 biogenic KJEAHN C=C1CC[C@H]2[C@](C)(COC(C)=O)[C@H](OC(C)=O)CC[C@@]2(C)[C@@H]1C[C@@H](NCc1ccc2c(c1)OCO2)C1=CCOC1=O ZINC000059101714 554378131 /nfs/dbraw/zinc/37/81/31/554378131.db2.gz UFBOFDTZELUFGK-ODZNXLMESA-N 0 3 567.679 4.630 50 30 biogenic KJEAHN Cc1cc(C)nc(N=C(N2CCN(c3nsc4ccccc43)CC2)N2CCN(c3nsc4ccccc43)CC2)n1 ZINC000059211907 193891673 /nfs/dbraw/zinc/89/16/73/193891673.db2.gz AVHBPFJWKIPMBJ-UHFFFAOYSA-N 0 3 569.764 4.945 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000059735399 554427276 /nfs/dbraw/zinc/42/72/76/554427276.db2.gz DHBJEMQHVAREIO-QHCPKHFHSA-N 0 3 551.665 4.674 50 30 KJEAHN CCOC(=O)c1sc(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CN(C)CC3)c(C#N)c1C ZINC000059749802 554427967 /nfs/dbraw/zinc/42/79/67/554427967.db2.gz XFCOWNKOYMCEDP-UHFFFAOYSA-N 0 3 537.692 4.819 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000070672427 553602006 /nfs/dbraw/zinc/60/20/06/553602006.db2.gz WEWYRAGVHGPOHY-AREMUKBSSA-N 0 3 540.657 4.586 50 30 biogenic KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000070672430 553601998 /nfs/dbraw/zinc/60/19/98/553601998.db2.gz WEWYRAGVHGPOHY-SANMLTNESA-N 0 3 540.657 4.586 50 30 biogenic KJEAHN CC1CCCC2(C)CC3OC(=O)C(CN4CCN(C(c5ccccc5)c5ccccc5)CC4)C3C3OC312 ZINC000070673140 553603481 /nfs/dbraw/zinc/60/34/81/553603481.db2.gz COFAEEGTGWXAFK-XWMGKOEESA-N 0 3 500.683 4.919 50 30 biogenic KJEAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000070673140 553603477 /nfs/dbraw/zinc/60/34/77/553603477.db2.gz COFAEEGTGWXAFK-XWMGKOEESA-N 0 3 500.683 4.919 50 30 biogenic KJEAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(C(c5ccccc5)c5ccccc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000070673141 553603518 /nfs/dbraw/zinc/60/35/18/553603518.db2.gz COFAEEGTGWXAFK-YQMCTPDCSA-N 0 3 500.683 4.919 50 30 biogenic KJEAHN C[C@@H]1CC[C@H]2[C@H](CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000070687144 553606183 /nfs/dbraw/zinc/60/61/83/553606183.db2.gz UDWSBTVGDHQAFN-AKIYBFTHSA-N 0 3 500.683 4.919 50 30 biogenic KJEAHN C[C@@H]1CC[C@H]2[C@@H](CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C(=O)O[C@@]23[C@@H]2O[C@]2(C)CC[C@@H]13 ZINC000070687149 553606128 /nfs/dbraw/zinc/60/61/28/553606128.db2.gz UDWSBTVGDHQAFN-PUIPNONKSA-N 0 3 500.683 4.919 50 30 biogenic KJEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN(CCCN4CCOCC4)Cc4cccc(OC)c4OC)[C@H]3C[C@@H]12 ZINC000070687631 553607242 /nfs/dbraw/zinc/60/72/42/553607242.db2.gz VPSXFBMPWJDTHT-SNBXZQQPSA-N 0 3 526.718 4.542 50 30 biogenic KJEAHN C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN(CCCN4CCOCC4)Cc4cccc(OC)c4OC)[C@H]3C[C@@H]12 ZINC000070687634 553607251 /nfs/dbraw/zinc/60/72/51/553607251.db2.gz VPSXFBMPWJDTHT-ZPELVRFXSA-N 0 3 526.718 4.542 50 30 biogenic KJEAHN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000085902231 553691123 /nfs/dbraw/zinc/69/11/23/553691123.db2.gz NDMZHFFFMUFVCW-XFAFABORSA-N 0 3 500.683 4.921 50 30 biogenic KJEAHN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCN(C(c4ccccc4)c4ccccc4)CC3)C(=O)O[C@@H]1C2 ZINC000085902232 553691152 /nfs/dbraw/zinc/69/11/52/553691152.db2.gz NDMZHFFFMUFVCW-KIFYEBFYSA-N 0 3 500.683 4.921 50 30 biogenic KJEAHN CCOC(=O)c1sc(NC(=O)CSc2nc3c(c(-c4ccsc4)c2C#N)CN(C)CC3)c(C#N)c1C ZINC000097940204 553763833 /nfs/dbraw/zinc/76/38/33/553763833.db2.gz LXDYZMNYTWASLK-UHFFFAOYSA-N 0 3 537.692 4.819 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097951312 553808074 /nfs/dbraw/zinc/80/80/74/553808074.db2.gz JAAAHQVHRCYMEL-AREMUKBSSA-N 0 3 540.657 4.730 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000097951313 553808069 /nfs/dbraw/zinc/80/80/69/553808069.db2.gz JAAAHQVHRCYMEL-SANMLTNESA-N 0 3 540.657 4.730 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097951445 553809008 /nfs/dbraw/zinc/80/90/08/553809008.db2.gz DGKXDBVARHTHLH-AREMUKBSSA-N 0 3 540.657 4.730 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000097951446 553809061 /nfs/dbraw/zinc/80/90/61/553809061.db2.gz DGKXDBVARHTHLH-SANMLTNESA-N 0 3 540.657 4.730 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000097951536 553809662 /nfs/dbraw/zinc/80/96/62/553809662.db2.gz JEQSHAXTBBGIER-AREMUKBSSA-N 0 3 540.657 4.586 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000097951537 553809681 /nfs/dbraw/zinc/80/96/81/553809681.db2.gz JEQSHAXTBBGIER-SANMLTNESA-N 0 3 540.657 4.586 50 30 KJEAHN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000097952413 553815689 /nfs/dbraw/zinc/81/56/89/553815689.db2.gz NYAGQZNOGMQMBJ-MUUNZHRXSA-N 0 3 542.632 4.891 50 30 KJEAHN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000097952414 553815684 /nfs/dbraw/zinc/81/56/84/553815684.db2.gz NYAGQZNOGMQMBJ-NDEPHWFRSA-N 0 3 542.632 4.891 50 30 KJEAHN CC(C)(C)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097952420 553815669 /nfs/dbraw/zinc/81/56/69/553815669.db2.gz PWYXHCCZYPWNHT-RUZDIDTESA-N 0 3 501.583 4.620 50 30 KJEAHN CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCCn2ccnc2)cc1 ZINC000097952421 553815698 /nfs/dbraw/zinc/81/56/98/553815698.db2.gz PWYXHCCZYPWNHT-VWLOTQADSA-N 0 3 501.583 4.620 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097952959 553818128 /nfs/dbraw/zinc/81/81/28/553818128.db2.gz ZCVGWISOGWFWMU-HHHXNRCGSA-N 0 3 538.641 4.565 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097952960 553818231 /nfs/dbraw/zinc/81/82/31/553818231.db2.gz ZCVGWISOGWFWMU-MHZLTWQESA-N 0 3 538.641 4.565 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000097952993 553818421 /nfs/dbraw/zinc/81/84/21/553818421.db2.gz VCSOWIIPYOECMX-HHHXNRCGSA-N 0 3 538.641 4.565 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000097952994 553818532 /nfs/dbraw/zinc/81/85/32/553818532.db2.gz VCSOWIIPYOECMX-MHZLTWQESA-N 0 3 538.641 4.565 50 30 KJEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000097956678 553840808 /nfs/dbraw/zinc/84/08/08/553840808.db2.gz ZKNFWNXUZJSJNH-HHHXNRCGSA-N 0 3 538.641 4.565 50 30 KJEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000097956679 553840822 /nfs/dbraw/zinc/84/08/22/553840822.db2.gz ZKNFWNXUZJSJNH-MHZLTWQESA-N 0 3 538.641 4.565 50 30 KJEAHN C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)NC3(C)C)cc1 ZINC000097963596 553892137 /nfs/dbraw/zinc/89/21/37/553892137.db2.gz VYMISTMQGTXYBN-UHFFFAOYSA-N 0 3 545.727 4.699 50 30 KJEAHN 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 553913844 /nfs/dbraw/zinc/91/38/44/553913844.db2.gz NCUAZWGHHQXGPV-UPCLLVRISA-N 0 3 573.484 4.797 50 30 KJEAHN 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 553913979 /nfs/dbraw/zinc/91/39/79/553913979.db2.gz NCUAZWGHHQXGPV-VOIUYBSRSA-N 0 3 573.484 4.797 50 30 KJEAHN 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 553913935 /nfs/dbraw/zinc/91/39/35/553913935.db2.gz NCUAZWGHHQXGPV-GYCJOSAFSA-N 0 3 573.484 4.797 50 30 KJEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000097967411 553918056 /nfs/dbraw/zinc/91/80/56/553918056.db2.gz DLIFSNOZLJAPIW-MUUNZHRXSA-N 0 3 552.668 4.956 50 30 KJEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000097967412 553918157 /nfs/dbraw/zinc/91/81/57/553918157.db2.gz DLIFSNOZLJAPIW-NDEPHWFRSA-N 0 3 552.668 4.956 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097967508 553919392 /nfs/dbraw/zinc/91/93/92/553919392.db2.gz MUPLXAFWXRYVPM-HHHXNRCGSA-N 0 3 554.684 4.976 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000097967509 553919482 /nfs/dbraw/zinc/91/94/82/553919482.db2.gz MUPLXAFWXRYVPM-MHZLTWQESA-N 0 3 554.684 4.976 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000097968126 553928003 /nfs/dbraw/zinc/92/80/03/553928003.db2.gz IHLQILTZRHAJPS-GDLZYMKVSA-N 0 3 558.631 4.575 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)C(=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000097968127 553928025 /nfs/dbraw/zinc/92/80/25/553928025.db2.gz IHLQILTZRHAJPS-LJAQVGFWSA-N 0 3 558.631 4.575 50 30 KJEAHN CCN(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 553935452 /nfs/dbraw/zinc/93/54/52/553935452.db2.gz HPONGVPFYWXLTE-HHHXNRCGSA-N 0 3 554.684 4.976 50 30 KJEAHN CCN(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 553935570 /nfs/dbraw/zinc/93/55/70/553935570.db2.gz HPONGVPFYWXLTE-MHZLTWQESA-N 0 3 554.684 4.976 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000097969071 553936208 /nfs/dbraw/zinc/93/62/08/553936208.db2.gz XIKRUKHTIURYBM-NDEPHWFRSA-N 0 3 560.647 4.740 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000097969072 553936234 /nfs/dbraw/zinc/93/62/34/553936234.db2.gz XIKRUKHTIURYBM-MUUNZHRXSA-N 0 3 560.647 4.740 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000097970007 553948264 /nfs/dbraw/zinc/94/82/64/553948264.db2.gz MIHNDVISSRTEIB-MUUNZHRXSA-N 0 3 552.668 4.811 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000097970008 553948204 /nfs/dbraw/zinc/94/82/04/553948204.db2.gz MIHNDVISSRTEIB-NDEPHWFRSA-N 0 3 552.668 4.811 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000097970339 553952839 /nfs/dbraw/zinc/95/28/39/553952839.db2.gz CMDAHZJEZSCKFA-SSEXGKCCSA-N 0 3 572.658 4.966 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000097970340 553952992 /nfs/dbraw/zinc/95/29/92/553952992.db2.gz CMDAHZJEZSCKFA-PMERELPUSA-N 0 3 572.658 4.966 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097970523 553955606 /nfs/dbraw/zinc/95/56/06/553955606.db2.gz MOBQHTMDBGDFHA-MUUNZHRXSA-N 0 3 552.668 4.956 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000097970524 553955456 /nfs/dbraw/zinc/95/54/56/553955456.db2.gz MOBQHTMDBGDFHA-NDEPHWFRSA-N 0 3 552.668 4.956 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000097970905 553959237 /nfs/dbraw/zinc/95/92/37/553959237.db2.gz PMLXPJLYJZNQQS-NDEPHWFRSA-N 0 3 560.647 4.740 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000097970906 553959216 /nfs/dbraw/zinc/95/92/16/553959216.db2.gz PMLXPJLYJZNQQS-MUUNZHRXSA-N 0 3 560.647 4.740 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000097971006 553960299 /nfs/dbraw/zinc/96/02/99/553960299.db2.gz JVLMXFKVWSKERG-NDEPHWFRSA-N 0 3 560.647 4.740 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000097971007 553960317 /nfs/dbraw/zinc/96/03/17/553960317.db2.gz JVLMXFKVWSKERG-MUUNZHRXSA-N 0 3 560.647 4.740 50 30 KJEAHN Cc1csc(C(C#N)C(=O)CSC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)n1 ZINC000097996858 554038762 /nfs/dbraw/zinc/03/87/62/554038762.db2.gz UNOZVVIIUFNRGT-MVHAPSEQSA-N 0 3 516.604 4.842 50 30 KJEAHN Cc1csc(C(C#N)C(=O)CSC2=NC(=Cc3ccc4c(c3)OCO4)C(=O)N2c2ccc(C)cc2)n1 ZINC000097996859 554038755 /nfs/dbraw/zinc/03/87/55/554038755.db2.gz UNOZVVIIUFNRGT-SVRLSDIQSA-N 0 3 516.604 4.842 50 30 KJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046408 554138650 /nfs/dbraw/zinc/13/86/50/554138650.db2.gz BEUIGHUMRYSMCZ-MUUNZHRXSA-N 0 3 548.611 4.952 50 30 KJEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCc3ccccc3)c(OC)c2)cc1F ZINC000098046409 554138589 /nfs/dbraw/zinc/13/85/89/554138589.db2.gz BEUIGHUMRYSMCZ-NDEPHWFRSA-N 0 3 548.611 4.952 50 30 KJEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000098046559 554140716 /nfs/dbraw/zinc/14/07/16/554140716.db2.gz OSDKKHMLQZKLTN-MUUNZHRXSA-N 0 3 552.668 4.956 50 30 KJEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000098046560 554140615 /nfs/dbraw/zinc/14/06/15/554140615.db2.gz OSDKKHMLQZKLTN-NDEPHWFRSA-N 0 3 552.668 4.956 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000098046561 554140577 /nfs/dbraw/zinc/14/05/77/554140577.db2.gz IZSDCFILLJWFCE-MUUNZHRXSA-N 0 3 552.668 4.811 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OCCC(C)C)c(OC)c1 ZINC000098046562 554140862 /nfs/dbraw/zinc/14/08/62/554140862.db2.gz IZSDCFILLJWFCE-NDEPHWFRSA-N 0 3 552.668 4.811 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000098046563 554140551 /nfs/dbraw/zinc/14/05/51/554140551.db2.gz JWGXLWVAKSGOCF-HHHXNRCGSA-N 0 3 538.641 4.565 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000098046564 554140658 /nfs/dbraw/zinc/14/06/58/554140658.db2.gz JWGXLWVAKSGOCF-MHZLTWQESA-N 0 3 538.641 4.565 50 30 KJEAHN C=C[C@]1(C)C[C@@H](OC(=O)CSC(C)(C)CNC(=O)[C@H](N)C(C)C)[C@]2(C)[C@@H]3C(=O)CC[C@]3(CC[C@H]2C)[C@@H](C)[C@@H]1O ZINC000100165755 554236536 /nfs/dbraw/zinc/23/65/36/554236536.db2.gz LLYYNOVSVPBRGV-NJCOPAAKSA-N 0 3 564.833 4.504 50 30 KJEAHN C=CCN(C(=O)c1ccccc1I)C1(C(=O)Nc2ccccc2)CCN(C(C)C)CC1 ZINC000100982802 554547935 /nfs/dbraw/zinc/54/79/35/554547935.db2.gz LLQXOAGFOUFGQU-UHFFFAOYSA-N 0 3 531.438 4.801 50 30 KJEAHN C=CCOc1ccccc1CN[C@@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2cccc(Cl)c2)C1 ZINC000101320165 554727950 /nfs/dbraw/zinc/72/79/50/554727950.db2.gz RONFKITXNOELHM-SXOMAYOGSA-N 0 3 548.083 4.725 50 30 KJEAHN C=CCOc1ccccc1CN[C@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2ccc(Cl)cc2)C1 ZINC000101320179 1066205589 /nfs/dbraw/zinc/20/55/89/1066205589.db2.gz QYINLPAHBFKDHL-SVBPBHIXSA-N 0 3 548.083 4.725 50 30 KJEAHN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102076608 554874768 /nfs/dbraw/zinc/87/47/68/554874768.db2.gz DJCKWENRKWZTSS-HGZLRSGXSA-N 0 3 506.643 4.808 50 30 KJEAHN CC(C)CCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102076613 554874822 /nfs/dbraw/zinc/87/48/22/554874822.db2.gz DJCKWENRKWZTSS-PMABHTPKSA-N 0 3 506.643 4.808 50 30 KJEAHN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102076616 554874855 /nfs/dbraw/zinc/87/48/55/554874855.db2.gz DJCKWENRKWZTSS-MNEKTFPPSA-N 0 3 506.643 4.808 50 30 KJEAHN CC(C)CCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102076619 554874826 /nfs/dbraw/zinc/87/48/26/554874826.db2.gz DJCKWENRKWZTSS-VDLDRNGKSA-N 0 3 506.643 4.808 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102482539 554937369 /nfs/dbraw/zinc/93/73/69/554937369.db2.gz NFZPEEZJRDTTHQ-CJJGVWJISA-N 0 3 510.631 4.508 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102482548 554937335 /nfs/dbraw/zinc/93/73/35/554937335.db2.gz NFZPEEZJRDTTHQ-CZNAVJSXSA-N 0 3 510.631 4.508 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102482789 554937439 /nfs/dbraw/zinc/93/74/39/554937439.db2.gz SOQASOXRGFGLHO-ONQGDUAMSA-N 0 3 524.658 4.955 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102482797 554937407 /nfs/dbraw/zinc/93/74/07/554937407.db2.gz SOQASOXRGFGLHO-UUALVTFQSA-N 0 3 524.658 4.955 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102483749 554937743 /nfs/dbraw/zinc/93/77/43/554937743.db2.gz HTNAPMCPODMODL-ONQGDUAMSA-N 0 3 529.593 4.856 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102483757 554937589 /nfs/dbraw/zinc/93/75/89/554937589.db2.gz HTNAPMCPODMODL-UUALVTFQSA-N 0 3 529.593 4.856 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102484435 554937875 /nfs/dbraw/zinc/93/78/75/554937875.db2.gz IAJSXMZPZKZYPG-UUALVTFQSA-N 0 3 524.658 4.811 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102484443 554937967 /nfs/dbraw/zinc/93/79/67/554937967.db2.gz IAJSXMZPZKZYPG-ONQGDUAMSA-N 0 3 524.658 4.811 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000102485496 554938218 /nfs/dbraw/zinc/93/82/18/554938218.db2.gz IDJKELFTHUARID-TXTDGAROSA-N 0 3 530.621 4.575 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000102485504 554938296 /nfs/dbraw/zinc/93/82/96/554938296.db2.gz IDJKELFTHUARID-DFXXOVSGSA-N 0 3 530.621 4.575 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102491218 554939342 /nfs/dbraw/zinc/93/93/42/554939342.db2.gz UTBJGPFKCNDDTJ-MIOXIQPJSA-N 0 3 544.648 4.965 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102491226 554939436 /nfs/dbraw/zinc/93/94/36/554939436.db2.gz UTBJGPFKCNDDTJ-WGGXKBPPSA-N 0 3 544.648 4.965 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102492174 554939665 /nfs/dbraw/zinc/93/96/65/554939665.db2.gz PLDOSMUXLZDFJC-NPJIAGGLSA-N 0 3 509.603 4.702 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000102492184 554939704 /nfs/dbraw/zinc/93/97/04/554939704.db2.gz PLDOSMUXLZDFJC-IUKMQXEJSA-N 0 3 509.603 4.702 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(Br)c1 ZINC000102493543 554939614 /nfs/dbraw/zinc/93/96/14/554939614.db2.gz NRJUMSTXILLAMH-HOGKFDNTSA-N 0 3 527.415 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1cccc(Br)c1 ZINC000102493543 554939612 /nfs/dbraw/zinc/93/96/12/554939612.db2.gz NRJUMSTXILLAMH-HOGKFDNTSA-N 0 3 527.415 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(Br)c1 ZINC000102493552 554939692 /nfs/dbraw/zinc/93/96/92/554939692.db2.gz NRJUMSTXILLAMH-MOBKVPTQSA-N 0 3 527.415 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(Br)c1 ZINC000102493552 554939690 /nfs/dbraw/zinc/93/96/90/554939690.db2.gz NRJUMSTXILLAMH-MOBKVPTQSA-N 0 3 527.415 4.967 50 30 KJEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000102496422 554940788 /nfs/dbraw/zinc/94/07/88/554940788.db2.gz ZYUCYDPCRSRNMG-CZNAVJSXSA-N 0 3 500.643 4.852 50 30 KJEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cnn1-c1ccccc1 ZINC000102496431 554940838 /nfs/dbraw/zinc/94/08/38/554940838.db2.gz ZYUCYDPCRSRNMG-CJJGVWJISA-N 0 3 500.643 4.852 50 30 KJEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1 ZINC000102499077 554941617 /nfs/dbraw/zinc/94/16/17/554941617.db2.gz WRPXCARELIFSRK-AYWGPLOBSA-N 0 3 513.425 4.861 50 30 KJEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)c(Cl)c2)cnn1-c1ccccc1 ZINC000102499087 554941550 /nfs/dbraw/zinc/94/15/50/554941550.db2.gz WRPXCARELIFSRK-ZHHPLPSFSA-N 0 3 513.425 4.861 50 30 KJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(O)c2)cc1 ZINC000102500624 554942841 /nfs/dbraw/zinc/94/28/41/554942841.db2.gz KFULOSADZRQDPO-ONQGDUAMSA-N 0 3 500.595 4.653 50 30 KJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(O)c2)cc1 ZINC000102500632 554942888 /nfs/dbraw/zinc/94/28/88/554942888.db2.gz KFULOSADZRQDPO-UUALVTFQSA-N 0 3 500.595 4.653 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102500994 554943181 /nfs/dbraw/zinc/94/31/81/554943181.db2.gz JJLJSUHKTWNCIJ-TXTDGAROSA-N 0 3 530.621 4.662 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102501002 554943140 /nfs/dbraw/zinc/94/31/40/554943140.db2.gz JJLJSUHKTWNCIJ-DFXXOVSGSA-N 0 3 530.621 4.662 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102502226 554943342 /nfs/dbraw/zinc/94/33/42/554943342.db2.gz UQDVHNHUBNOYMD-UUALVTFQSA-N 0 3 518.585 4.575 50 30 KJEAHN Cc1ccccc1OCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102502236 554943452 /nfs/dbraw/zinc/94/34/52/554943452.db2.gz UQDVHNHUBNOYMD-ONQGDUAMSA-N 0 3 518.585 4.575 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102503117 554944031 /nfs/dbraw/zinc/94/40/31/554944031.db2.gz SSECTRJYZHUEPD-HOGKFDNTSA-N 0 3 501.421 4.611 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102503126 554943965 /nfs/dbraw/zinc/94/39/65/554943965.db2.gz SSECTRJYZHUEPD-MOBKVPTQSA-N 0 3 501.421 4.611 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102504490 554944366 /nfs/dbraw/zinc/94/43/66/554944366.db2.gz LDHCZOOVTUREDF-TXTDGAROSA-N 0 3 530.621 4.662 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102504499 554944290 /nfs/dbraw/zinc/94/42/90/554944290.db2.gz LDHCZOOVTUREDF-DFXXOVSGSA-N 0 3 530.621 4.662 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000102508483 554945535 /nfs/dbraw/zinc/94/55/35/554945535.db2.gz OPTNHPVOKHLVHH-MIOXIQPJSA-N 0 3 574.674 4.973 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000102508493 554945452 /nfs/dbraw/zinc/94/54/52/554945452.db2.gz OPTNHPVOKHLVHH-WGGXKBPPSA-N 0 3 574.674 4.973 50 30 KJEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102509244 554945636 /nfs/dbraw/zinc/94/56/36/554945636.db2.gz RMYCTNOUQIZNDH-HOGKFDNTSA-N 0 3 501.421 4.611 50 30 KJEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102509250 554945745 /nfs/dbraw/zinc/94/57/45/554945745.db2.gz RMYCTNOUQIZNDH-MOBKVPTQSA-N 0 3 501.421 4.611 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102509615 554945977 /nfs/dbraw/zinc/94/59/77/554945977.db2.gz RMQYZFKVDHCYOO-IUKMQXEJSA-N 0 3 509.603 4.846 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C ZINC000102509625 554946061 /nfs/dbraw/zinc/94/60/61/554946061.db2.gz RMQYZFKVDHCYOO-NPJIAGGLSA-N 0 3 509.603 4.846 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(O)cc1 ZINC000102512528 554947004 /nfs/dbraw/zinc/94/70/04/554947004.db2.gz RXAKAOASAGEUOS-ONQGDUAMSA-N 0 3 500.595 4.653 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(O)cc1 ZINC000102512540 554946964 /nfs/dbraw/zinc/94/69/64/554946964.db2.gz RXAKAOASAGEUOS-UUALVTFQSA-N 0 3 500.595 4.653 50 30 KJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000102514416 554947647 /nfs/dbraw/zinc/94/76/47/554947647.db2.gz LLLHYQMYSVBQQX-ONQGDUAMSA-N 0 3 500.595 4.653 50 30 KJEAHN Cc1ccccc1COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000102514426 554947626 /nfs/dbraw/zinc/94/76/26/554947626.db2.gz LLLHYQMYSVBQQX-UUALVTFQSA-N 0 3 500.595 4.653 50 30 KJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000102517017 554948214 /nfs/dbraw/zinc/94/82/14/554948214.db2.gz MNNSTQIAJNKKBZ-CZNAVJSXSA-N 0 3 510.631 4.652 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccc(O)c(OC)c2)cc1C ZINC000102517017 554948213 /nfs/dbraw/zinc/94/82/13/554948213.db2.gz MNNSTQIAJNKKBZ-CZNAVJSXSA-N 0 3 510.631 4.652 50 30 KJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000102517026 554948209 /nfs/dbraw/zinc/94/82/09/554948209.db2.gz MNNSTQIAJNKKBZ-CJJGVWJISA-N 0 3 510.631 4.652 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccc(O)c(OC)c2)cc1C ZINC000102517026 554948206 /nfs/dbraw/zinc/94/82/06/554948206.db2.gz MNNSTQIAJNKKBZ-CJJGVWJISA-N 0 3 510.631 4.652 50 30 KJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccc(Br)c1 ZINC000102517312 554948473 /nfs/dbraw/zinc/94/84/73/554948473.db2.gz HQVKHBXRSVJERE-LFVOPCPISA-N 0 3 522.237 4.585 50 30 KJEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(Br)c1 ZINC000102517322 554948498 /nfs/dbraw/zinc/94/84/98/554948498.db2.gz HQVKHBXRSVJERE-WOOAAIBNSA-N 0 3 522.237 4.585 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000102518931 554948973 /nfs/dbraw/zinc/94/89/73/554948973.db2.gz BLWDNBUPJMLNIT-CZNAVJSXSA-N 0 3 540.657 4.573 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)c(C)c1 ZINC000102518940 554949078 /nfs/dbraw/zinc/94/90/78/554949078.db2.gz BLWDNBUPJMLNIT-CJJGVWJISA-N 0 3 540.657 4.573 50 30 KJEAHN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102523892 554950679 /nfs/dbraw/zinc/95/06/79/554950679.db2.gz SCJYKCMXCMHZPV-ZHJYXLETSA-N 0 3 526.633 4.962 50 30 KJEAHN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102523900 554950704 /nfs/dbraw/zinc/95/07/04/554950704.db2.gz SCJYKCMXCMHZPV-MNOIWJKESA-N 0 3 526.633 4.962 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000102524934 554951666 /nfs/dbraw/zinc/95/16/66/554951666.db2.gz SENSPWBXCLAQMO-TXTDGAROSA-N 0 3 530.621 4.575 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000102524941 554951587 /nfs/dbraw/zinc/95/15/87/554951587.db2.gz SENSPWBXCLAQMO-DFXXOVSGSA-N 0 3 530.621 4.575 50 30 KJEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102525977 554951901 /nfs/dbraw/zinc/95/19/01/554951901.db2.gz WNZYLEOHGMPFEH-VDLDRNGKSA-N 0 3 506.643 4.952 50 30 KJEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102525983 554951866 /nfs/dbraw/zinc/95/18/66/554951866.db2.gz WNZYLEOHGMPFEH-PMABHTPKSA-N 0 3 506.643 4.952 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(Br)cc1 ZINC000102529859 554953457 /nfs/dbraw/zinc/95/34/57/554953457.db2.gz IPRNHHLYWRSLRM-HOGKFDNTSA-N 0 3 527.415 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(Br)cc1 ZINC000102529859 554953455 /nfs/dbraw/zinc/95/34/55/554953455.db2.gz IPRNHHLYWRSLRM-HOGKFDNTSA-N 0 3 527.415 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(Br)cc1 ZINC000102529869 554953467 /nfs/dbraw/zinc/95/34/67/554953467.db2.gz IPRNHHLYWRSLRM-MOBKVPTQSA-N 0 3 527.415 4.967 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(Br)cc1 ZINC000102529869 554953465 /nfs/dbraw/zinc/95/34/65/554953465.db2.gz IPRNHHLYWRSLRM-MOBKVPTQSA-N 0 3 527.415 4.967 50 30 KJEAHN 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 554953711 /nfs/dbraw/zinc/95/37/11/554953711.db2.gz VGKYZPMJTIZSOG-YMMFOPJESA-N 0 3 573.484 4.640 50 30 KJEAHN 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 554953640 /nfs/dbraw/zinc/95/36/40/554953640.db2.gz VGKYZPMJTIZSOG-CIKQMSCWSA-N 0 3 573.484 4.640 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000102532285 554954138 /nfs/dbraw/zinc/95/41/38/554954138.db2.gz YUNMIZLYAHYEPY-DFXXOVSGSA-N 0 3 530.621 4.662 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102536966 554955925 /nfs/dbraw/zinc/95/59/25/554955925.db2.gz WZNOOZZLQCNBOH-CZNAVJSXSA-N 0 3 510.631 4.652 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)c(OCC)c2)cc1C ZINC000102536972 554955931 /nfs/dbraw/zinc/95/59/31/554955931.db2.gz WZNOOZZLQCNBOH-CJJGVWJISA-N 0 3 510.631 4.652 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1 ZINC000102540387 554957419 /nfs/dbraw/zinc/95/74/19/554957419.db2.gz CXSDOUMJWKOLHP-MOBKVPTQSA-N 0 3 501.421 4.610 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1 ZINC000102540397 554957365 /nfs/dbraw/zinc/95/73/65/554957365.db2.gz CXSDOUMJWKOLHP-HOGKFDNTSA-N 0 3 501.421 4.610 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102540609 554957358 /nfs/dbraw/zinc/95/73/58/554957358.db2.gz RFPCUFHFQCQRKT-SBXHHDGASA-N 0 3 501.023 4.901 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102540609 554957356 /nfs/dbraw/zinc/95/73/56/554957356.db2.gz RFPCUFHFQCQRKT-SBXHHDGASA-N 0 3 501.023 4.901 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102540618 554957410 /nfs/dbraw/zinc/95/74/10/554957410.db2.gz RFPCUFHFQCQRKT-NXLSWJSLSA-N 0 3 501.023 4.901 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000102540618 554957409 /nfs/dbraw/zinc/95/74/09/554957409.db2.gz RFPCUFHFQCQRKT-NXLSWJSLSA-N 0 3 501.023 4.901 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000102550788 554961774 /nfs/dbraw/zinc/96/17/74/554961774.db2.gz YIBYNJNKZQFUDJ-TXTDGAROSA-N 0 3 530.621 4.575 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000102550793 554961730 /nfs/dbraw/zinc/96/17/30/554961730.db2.gz YIBYNJNKZQFUDJ-DFXXOVSGSA-N 0 3 530.621 4.575 50 30 KJEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102551782 554962288 /nfs/dbraw/zinc/96/22/88/554962288.db2.gz XJWWMMWKADEZRA-DFXXOVSGSA-N 0 3 552.668 4.799 50 30 KJEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102551788 554962280 /nfs/dbraw/zinc/96/22/80/554962280.db2.gz XJWWMMWKADEZRA-TXTDGAROSA-N 0 3 552.668 4.799 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102554926 554963706 /nfs/dbraw/zinc/96/37/06/554963706.db2.gz GEPQTTMVCLDEMI-UUALVTFQSA-N 0 3 554.684 4.819 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000102554934 554963713 /nfs/dbraw/zinc/96/37/13/554963713.db2.gz GEPQTTMVCLDEMI-ONQGDUAMSA-N 0 3 554.684 4.819 50 30 KJEAHN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102569841 554970316 /nfs/dbraw/zinc/97/03/16/554970316.db2.gz LPEFLPRINMICQQ-WGGXKBPPSA-N 0 3 551.599 4.745 50 30 KJEAHN O=C(c1ccc2c(c1)OCCO2)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102569850 554970251 /nfs/dbraw/zinc/97/02/51/554970251.db2.gz LPEFLPRINMICQQ-MIOXIQPJSA-N 0 3 551.599 4.745 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCCC(C)C)c1 ZINC000102583654 554972734 /nfs/dbraw/zinc/97/27/34/554972734.db2.gz SKNKQENTEHZHIP-UUALVTFQSA-N 0 3 522.642 4.646 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCCC(C)C)c1 ZINC000102583663 554972813 /nfs/dbraw/zinc/97/28/13/554972813.db2.gz SKNKQENTEHZHIP-ONQGDUAMSA-N 0 3 522.642 4.646 50 30 KJEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000102604917 554978429 /nfs/dbraw/zinc/97/84/29/554978429.db2.gz LLEGTHIHKHSQRU-UUALVTFQSA-N 0 3 522.642 4.790 50 30 KJEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)c1 ZINC000102604923 554978448 /nfs/dbraw/zinc/97/84/48/554978448.db2.gz LLEGTHIHKHSQRU-ONQGDUAMSA-N 0 3 522.642 4.790 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000102607884 554979836 /nfs/dbraw/zinc/97/98/36/554979836.db2.gz AWARZVGHNKDYIE-YREDKMEYSA-N 0 3 536.669 4.817 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000102607890 554979795 /nfs/dbraw/zinc/97/97/95/554979795.db2.gz AWARZVGHNKDYIE-YFVVEFNMSA-N 0 3 536.669 4.817 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1F ZINC000102622161 554987444 /nfs/dbraw/zinc/98/74/44/554987444.db2.gz ZICOVIWEXYXXGL-MOBKVPTQSA-N 0 3 519.411 4.749 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1F ZINC000102622166 554987406 /nfs/dbraw/zinc/98/74/06/554987406.db2.gz ZICOVIWEXYXXGL-HOGKFDNTSA-N 0 3 519.411 4.749 50 30 KJEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000102625263 554987871 /nfs/dbraw/zinc/98/78/71/554987871.db2.gz KVISEMGIMVQSJV-YREDKMEYSA-N 0 3 536.669 4.961 50 30 KJEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000102625267 554987940 /nfs/dbraw/zinc/98/79/40/554987940.db2.gz KVISEMGIMVQSJV-YFVVEFNMSA-N 0 3 536.669 4.961 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000102625832 554988045 /nfs/dbraw/zinc/98/80/45/554988045.db2.gz HQDKHAUDTKGVHL-KXDYMIPJSA-N 0 3 522.642 4.571 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000102625839 554988037 /nfs/dbraw/zinc/98/80/37/554988037.db2.gz HQDKHAUDTKGVHL-ZLYDLHQSSA-N 0 3 522.642 4.571 50 30 KJEAHN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102647252 554993299 /nfs/dbraw/zinc/99/32/99/554993299.db2.gz SCJYKCMXCMHZPV-VTVSLZSGSA-N 0 3 526.633 4.962 50 30 KJEAHN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102647255 554993312 /nfs/dbraw/zinc/99/33/12/554993312.db2.gz SCJYKCMXCMHZPV-YJMWBXFMSA-N 0 3 526.633 4.962 50 30 KJEAHN CCCCCOc1cccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102647816 554993871 /nfs/dbraw/zinc/99/38/71/554993871.db2.gz WNZYLEOHGMPFEH-MNEKTFPPSA-N 0 3 506.643 4.952 50 30 KJEAHN CCCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102647818 554993771 /nfs/dbraw/zinc/99/37/71/554993771.db2.gz WNZYLEOHGMPFEH-HGZLRSGXSA-N 0 3 506.643 4.952 50 30 KJEAHN 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 554994505 /nfs/dbraw/zinc/99/45/05/554994505.db2.gz VGKYZPMJTIZSOG-RPUIFAKWSA-N 0 3 573.484 4.640 50 30 KJEAHN 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 554994554 /nfs/dbraw/zinc/99/45/54/554994554.db2.gz VGKYZPMJTIZSOG-SOIUSXPSSA-N 0 3 573.484 4.640 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000102674936 555003826 /nfs/dbraw/zinc/00/38/26/555003826.db2.gz AWARZVGHNKDYIE-FGEDTZIGSA-N 0 3 536.669 4.817 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCCC(C)C ZINC000102674938 555003847 /nfs/dbraw/zinc/00/38/47/555003847.db2.gz AWARZVGHNKDYIE-LODGOHBISA-N 0 3 536.669 4.817 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000102680852 555005372 /nfs/dbraw/zinc/00/53/72/555005372.db2.gz HQDKHAUDTKGVHL-NGAXIMOQSA-N 0 3 522.642 4.571 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000102680855 555005246 /nfs/dbraw/zinc/00/52/46/555005246.db2.gz HQDKHAUDTKGVHL-JLPDLQRYSA-N 0 3 522.642 4.571 50 30 KJEAHN CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000102680959 555005664 /nfs/dbraw/zinc/00/56/64/555005664.db2.gz KVISEMGIMVQSJV-FGEDTZIGSA-N 0 3 536.669 4.961 50 30 KJEAHN CCCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000102680962 555005612 /nfs/dbraw/zinc/00/56/12/555005612.db2.gz KVISEMGIMVQSJV-LODGOHBISA-N 0 3 536.669 4.961 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102691194 555008253 /nfs/dbraw/zinc/00/82/53/555008253.db2.gz RVMYMDPIJOKTTL-DFXXOVSGSA-N 0 3 514.622 4.956 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102691199 555008240 /nfs/dbraw/zinc/00/82/40/555008240.db2.gz RVMYMDPIJOKTTL-TXTDGAROSA-N 0 3 514.622 4.956 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000102696184 555011351 /nfs/dbraw/zinc/01/13/51/555011351.db2.gz XDKFOABZGZAXCX-DFXXOVSGSA-N 0 3 530.621 4.662 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000102696187 555011368 /nfs/dbraw/zinc/01/13/68/555011368.db2.gz XDKFOABZGZAXCX-TXTDGAROSA-N 0 3 530.621 4.662 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102704743 555013897 /nfs/dbraw/zinc/01/38/97/555013897.db2.gz XSLWQFACJWCPFS-TXTDGAROSA-N 0 3 530.621 4.662 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102704750 555014020 /nfs/dbraw/zinc/01/40/20/555014020.db2.gz XSLWQFACJWCPFS-DFXXOVSGSA-N 0 3 530.621 4.662 50 30 KJEAHN COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102708036 555015632 /nfs/dbraw/zinc/01/56/32/555015632.db2.gz TYDLEXFZTURMMJ-TXTDGAROSA-N 0 3 542.632 4.734 50 30 KJEAHN COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102708039 555015625 /nfs/dbraw/zinc/01/56/25/555015625.db2.gz TYDLEXFZTURMMJ-DFXXOVSGSA-N 0 3 542.632 4.734 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102708530 555015901 /nfs/dbraw/zinc/01/59/01/555015901.db2.gz UAUSAGUJGDKBJU-ONQGDUAMSA-N 0 3 529.593 4.856 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc([N+](=O)[O-])cc3)cc2)c1 ZINC000102708538 555015863 /nfs/dbraw/zinc/01/58/63/555015863.db2.gz UAUSAGUJGDKBJU-UUALVTFQSA-N 0 3 529.593 4.856 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102708780 555015834 /nfs/dbraw/zinc/01/58/34/555015834.db2.gz XVXZBJDLDDYOMF-ONQGDUAMSA-N 0 3 529.593 4.856 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc([N+](=O)[O-])c3)cc2)c1 ZINC000102708785 555015850 /nfs/dbraw/zinc/01/58/50/555015850.db2.gz XVXZBJDLDDYOMF-UUALVTFQSA-N 0 3 529.593 4.856 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(O)c3)cc2)c1 ZINC000102709816 555016063 /nfs/dbraw/zinc/01/60/63/555016063.db2.gz ZFHKPUNWEUHUCP-ONQGDUAMSA-N 0 3 500.595 4.653 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(O)c3)cc2)c1 ZINC000102709826 555016115 /nfs/dbraw/zinc/01/61/15/555016115.db2.gz ZFHKPUNWEUHUCP-UUALVTFQSA-N 0 3 500.595 4.653 50 30 KJEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102710796 555016485 /nfs/dbraw/zinc/01/64/85/555016485.db2.gz XTQNBMVHEUYEIH-TXTDGAROSA-N 0 3 514.622 4.956 50 30 KJEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102710800 555016445 /nfs/dbraw/zinc/01/64/45/555016445.db2.gz XTQNBMVHEUYEIH-DFXXOVSGSA-N 0 3 514.622 4.956 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102718755 555019619 /nfs/dbraw/zinc/01/96/19/555019619.db2.gz MIHKCRYRKICNKM-MIOXIQPJSA-N 0 3 544.648 4.965 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102718758 555019672 /nfs/dbraw/zinc/01/96/72/555019672.db2.gz MIHKCRYRKICNKM-WGGXKBPPSA-N 0 3 544.648 4.965 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102721455 555020218 /nfs/dbraw/zinc/02/02/18/555020218.db2.gz AIMTVVMTTVBAIY-TXTDGAROSA-N 0 3 514.622 4.956 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102721457 555020252 /nfs/dbraw/zinc/02/02/52/555020252.db2.gz AIMTVVMTTVBAIY-DFXXOVSGSA-N 0 3 514.622 4.956 50 30 KJEAHN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735266 555025193 /nfs/dbraw/zinc/02/51/93/555025193.db2.gz CHKIOSBIAQZYPB-LODGOHBISA-N 0 3 512.606 4.572 50 30 KJEAHN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735268 555025218 /nfs/dbraw/zinc/02/52/18/555025218.db2.gz CHKIOSBIAQZYPB-YFVVEFNMSA-N 0 3 512.606 4.572 50 30 KJEAHN C[C@@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735270 555025242 /nfs/dbraw/zinc/02/52/42/555025242.db2.gz CHKIOSBIAQZYPB-FGEDTZIGSA-N 0 3 512.606 4.572 50 30 KJEAHN C[C@H]1Cc2cc(C(=O)C3C(=O)C(=O)N(CCN(C)C)[C@@H]3c3cccc(OCc4ccccc4)c3)ccc2O1 ZINC000102735272 555025321 /nfs/dbraw/zinc/02/53/21/555025321.db2.gz CHKIOSBIAQZYPB-YREDKMEYSA-N 0 3 512.606 4.572 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccc(O)cc3)cc2)c1 ZINC000102735623 555025807 /nfs/dbraw/zinc/02/58/07/555025807.db2.gz SJVXCKAEXNMCBE-ONQGDUAMSA-N 0 3 500.595 4.653 50 30 KJEAHN Cc1cccc(COc2ccc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccc(O)cc3)cc2)c1 ZINC000102735625 555026168 /nfs/dbraw/zinc/02/61/68/555026168.db2.gz SJVXCKAEXNMCBE-UUALVTFQSA-N 0 3 500.595 4.653 50 30 KJEAHN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102763388 555053701 /nfs/dbraw/zinc/05/37/01/555053701.db2.gz ILVFRTVHICGZHB-NDEPHWFRSA-N 0 3 546.693 4.638 50 30 KJEAHN C=CCOC(=O)C1=C(C)N=C2SC=C(CC(=O)NCCN(C)C)N2[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102763392 555054142 /nfs/dbraw/zinc/05/41/42/555054142.db2.gz ILVFRTVHICGZHB-MUUNZHRXSA-N 0 3 546.693 4.638 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102856403 555088054 /nfs/dbraw/zinc/08/80/54/555088054.db2.gz IFJKTDQKEVPTCN-SBXHHDGASA-N 0 3 501.023 4.901 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102856403 555088050 /nfs/dbraw/zinc/08/80/50/555088050.db2.gz IFJKTDQKEVPTCN-SBXHHDGASA-N 0 3 501.023 4.901 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102856406 555087929 /nfs/dbraw/zinc/08/79/29/555087929.db2.gz IFJKTDQKEVPTCN-NXLSWJSLSA-N 0 3 501.023 4.901 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102856406 555087927 /nfs/dbraw/zinc/08/79/27/555087927.db2.gz IFJKTDQKEVPTCN-NXLSWJSLSA-N 0 3 501.023 4.901 50 30 KJEAHN CCN(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 555088817 /nfs/dbraw/zinc/08/88/17/555088817.db2.gz QBIUPFKPUDRPOR-UUALVTFQSA-N 0 3 554.684 4.819 50 30 KJEAHN CCN(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 555088776 /nfs/dbraw/zinc/08/87/76/555088776.db2.gz QBIUPFKPUDRPOR-ONQGDUAMSA-N 0 3 554.684 4.819 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000102858363 555089249 /nfs/dbraw/zinc/08/92/49/555089249.db2.gz FEZCCAWOLQHRMV-ONQGDUAMSA-N 0 3 529.593 4.856 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)ccc1OCc1ccccc1 ZINC000102858365 555089201 /nfs/dbraw/zinc/08/92/01/555089201.db2.gz FEZCCAWOLQHRMV-UUALVTFQSA-N 0 3 529.593 4.856 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000102859147 555089732 /nfs/dbraw/zinc/08/97/32/555089732.db2.gz PGWKQTCHUCPAHU-AYWGPLOBSA-N 0 3 515.448 4.918 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)ccc1OC(C)C ZINC000102859151 555089640 /nfs/dbraw/zinc/08/96/40/555089640.db2.gz PGWKQTCHUCPAHU-ZHHPLPSFSA-N 0 3 515.448 4.918 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102859225 555089756 /nfs/dbraw/zinc/08/97/56/555089756.db2.gz ATVUHJCKLMXEPI-KXDYMIPJSA-N 0 3 522.642 4.571 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102859229 555089670 /nfs/dbraw/zinc/08/96/70/555089670.db2.gz ATVUHJCKLMXEPI-ZLYDLHQSSA-N 0 3 522.642 4.571 50 30 KJEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102859232 555089664 /nfs/dbraw/zinc/08/96/64/555089664.db2.gz ATVUHJCKLMXEPI-NGAXIMOQSA-N 0 3 522.642 4.571 50 30 KJEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102859235 555089782 /nfs/dbraw/zinc/08/97/82/555089782.db2.gz ATVUHJCKLMXEPI-JLPDLQRYSA-N 0 3 522.642 4.571 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000102859450 555089777 /nfs/dbraw/zinc/08/97/77/555089777.db2.gz HZIJEXGTTFLMRA-ONQGDUAMSA-N 0 3 500.595 4.653 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)ccc1OCc1ccccc1 ZINC000102859454 555089725 /nfs/dbraw/zinc/08/97/25/555089725.db2.gz HZIJEXGTTFLMRA-UUALVTFQSA-N 0 3 500.595 4.653 50 30 KJEAHN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Br)cc1 ZINC000102860479 555090640 /nfs/dbraw/zinc/09/06/40/555090640.db2.gz FSRMKNUXJDBVOL-AYWGPLOBSA-N 0 3 515.448 4.918 50 30 KJEAHN Cc1cc(OC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Br)cc1 ZINC000102860479 555090638 /nfs/dbraw/zinc/09/06/38/555090638.db2.gz FSRMKNUXJDBVOL-AYWGPLOBSA-N 0 3 515.448 4.918 50 30 KJEAHN Cc1cc(OC(C)C)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Br)cc1 ZINC000102860481 555090596 /nfs/dbraw/zinc/09/05/96/555090596.db2.gz FSRMKNUXJDBVOL-ZHHPLPSFSA-N 0 3 515.448 4.918 50 30 KJEAHN Cc1cc(OC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Br)cc1 ZINC000102860481 555090594 /nfs/dbraw/zinc/09/05/94/555090594.db2.gz FSRMKNUXJDBVOL-ZHHPLPSFSA-N 0 3 515.448 4.918 50 30 KJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102860850 555091216 /nfs/dbraw/zinc/09/12/16/555091216.db2.gz SPSPELDTZLNZGY-CZNAVJSXSA-N 0 3 510.631 4.565 50 30 KJEAHN CCCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102860853 555091320 /nfs/dbraw/zinc/09/13/20/555091320.db2.gz SPSPELDTZLNZGY-CJJGVWJISA-N 0 3 510.631 4.565 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102862231 555092282 /nfs/dbraw/zinc/09/22/82/555092282.db2.gz NDBOJYVDVKODDQ-NPJIAGGLSA-N 0 3 509.603 4.702 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102862234 555092346 /nfs/dbraw/zinc/09/23/46/555092346.db2.gz NDBOJYVDVKODDQ-IUKMQXEJSA-N 0 3 509.603 4.702 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102863539 555093216 /nfs/dbraw/zinc/09/32/16/555093216.db2.gz LEINWDNFNWLTRM-CJJGVWJISA-N 0 3 510.631 4.508 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(O)c(OC)c1 ZINC000102863539 555093213 /nfs/dbraw/zinc/09/32/13/555093213.db2.gz LEINWDNFNWLTRM-CJJGVWJISA-N 0 3 510.631 4.508 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102863540 555093200 /nfs/dbraw/zinc/09/32/00/555093200.db2.gz LEINWDNFNWLTRM-CZNAVJSXSA-N 0 3 510.631 4.508 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(O)c(OC)c1 ZINC000102863540 555093199 /nfs/dbraw/zinc/09/31/99/555093199.db2.gz LEINWDNFNWLTRM-CZNAVJSXSA-N 0 3 510.631 4.508 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000102863571 555093485 /nfs/dbraw/zinc/09/34/85/555093485.db2.gz KJKKEOKWFZNVMT-MIOXIQPJSA-N 0 3 574.674 4.973 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000102863573 555093514 /nfs/dbraw/zinc/09/35/14/555093514.db2.gz KJKKEOKWFZNVMT-WGGXKBPPSA-N 0 3 574.674 4.973 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102863772 555093549 /nfs/dbraw/zinc/09/35/49/555093549.db2.gz VWAWYVOUZOINAE-TXTDGAROSA-N 0 3 560.647 4.583 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102863773 555093579 /nfs/dbraw/zinc/09/35/79/555093579.db2.gz VWAWYVOUZOINAE-DFXXOVSGSA-N 0 3 560.647 4.583 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102864303 555093996 /nfs/dbraw/zinc/09/39/96/555093996.db2.gz HQMZLFJAAVRFDT-ONQGDUAMSA-N 0 3 529.593 4.856 50 30 KJEAHN Cc1cc(OCc2ccccc2)ccc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102864307 555093823 /nfs/dbraw/zinc/09/38/23/555093823.db2.gz HQMZLFJAAVRFDT-UUALVTFQSA-N 0 3 529.593 4.856 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Br)c1 ZINC000102864640 555094226 /nfs/dbraw/zinc/09/42/26/555094226.db2.gz ZKZCIPWYNQILRW-HOGKFDNTSA-N 0 3 501.421 4.530 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1cccc(Br)c1 ZINC000102864640 555094225 /nfs/dbraw/zinc/09/42/25/555094225.db2.gz ZKZCIPWYNQILRW-HOGKFDNTSA-N 0 3 501.421 4.530 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Br)c1 ZINC000102864642 555094220 /nfs/dbraw/zinc/09/42/20/555094220.db2.gz ZKZCIPWYNQILRW-MOBKVPTQSA-N 0 3 501.421 4.530 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1cccc(Br)c1 ZINC000102864642 555094219 /nfs/dbraw/zinc/09/42/19/555094219.db2.gz ZKZCIPWYNQILRW-MOBKVPTQSA-N 0 3 501.421 4.530 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000102864680 555094153 /nfs/dbraw/zinc/09/41/53/555094153.db2.gz FMEUGRKVXXOSBT-WGGXKBPPSA-N 0 3 544.648 4.965 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000102864683 555094249 /nfs/dbraw/zinc/09/42/49/555094249.db2.gz FMEUGRKVXXOSBT-MIOXIQPJSA-N 0 3 544.648 4.965 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102866488 555095784 /nfs/dbraw/zinc/09/57/84/555095784.db2.gz NLXAGJBJEZOJLK-CJJGVWJISA-N 0 3 510.631 4.650 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102866488 555095782 /nfs/dbraw/zinc/09/57/82/555095782.db2.gz NLXAGJBJEZOJLK-CJJGVWJISA-N 0 3 510.631 4.650 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102866493 555095727 /nfs/dbraw/zinc/09/57/27/555095727.db2.gz NLXAGJBJEZOJLK-CZNAVJSXSA-N 0 3 510.631 4.650 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102866493 555095725 /nfs/dbraw/zinc/09/57/25/555095725.db2.gz NLXAGJBJEZOJLK-CZNAVJSXSA-N 0 3 510.631 4.650 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000102866558 555095810 /nfs/dbraw/zinc/09/58/10/555095810.db2.gz NWDZXWTUOTZSGE-NPJIAGGLSA-N 0 3 509.603 4.702 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000102866561 555095815 /nfs/dbraw/zinc/09/58/15/555095815.db2.gz NWDZXWTUOTZSGE-IUKMQXEJSA-N 0 3 509.603 4.702 50 30 KJEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000102872365 555102832 /nfs/dbraw/zinc/10/28/32/555102832.db2.gz GZXADDSAKWZBHJ-PGVNHDJNSA-N 0 3 501.414 4.631 50 30 KJEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000102872368 555102875 /nfs/dbraw/zinc/10/28/75/555102875.db2.gz GZXADDSAKWZBHJ-OBVHCKHUSA-N 0 3 501.414 4.631 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102873149 555103794 /nfs/dbraw/zinc/10/37/94/555103794.db2.gz WFZMSJGZFJBIJH-MIOXIQPJSA-N 0 3 544.648 4.965 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102873152 555103772 /nfs/dbraw/zinc/10/37/72/555103772.db2.gz WFZMSJGZFJBIJH-WGGXKBPPSA-N 0 3 544.648 4.965 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102874092 555104333 /nfs/dbraw/zinc/10/43/33/555104333.db2.gz UFIQTZICDWWSHZ-MIOXIQPJSA-N 0 3 544.648 4.965 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102874096 555104313 /nfs/dbraw/zinc/10/43/13/555104313.db2.gz UFIQTZICDWWSHZ-WGGXKBPPSA-N 0 3 544.648 4.965 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@H]1c1cccc(OC)c1OC ZINC000102877778 555107241 /nfs/dbraw/zinc/10/72/41/555107241.db2.gz XGZPQTFVERAEFB-NPJIAGGLSA-N 0 3 510.631 4.563 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC(C)C)c(C)c2)[C@@H]1c1cccc(OC)c1OC ZINC000102877780 555107207 /nfs/dbraw/zinc/10/72/07/555107207.db2.gz XGZPQTFVERAEFB-IUKMQXEJSA-N 0 3 510.631 4.563 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102878062 555107263 /nfs/dbraw/zinc/10/72/63/555107263.db2.gz PANRTMOTATWIRB-YREDKMEYSA-N 0 3 536.669 4.961 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102878064 555107169 /nfs/dbraw/zinc/10/71/69/555107169.db2.gz PANRTMOTATWIRB-YFVVEFNMSA-N 0 3 536.669 4.961 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102878067 555107221 /nfs/dbraw/zinc/10/72/21/555107221.db2.gz PANRTMOTATWIRB-FGEDTZIGSA-N 0 3 536.669 4.961 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102878069 555107224 /nfs/dbraw/zinc/10/72/24/555107224.db2.gz PANRTMOTATWIRB-LODGOHBISA-N 0 3 536.669 4.961 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102878141 555107596 /nfs/dbraw/zinc/10/75/96/555107596.db2.gz PWLLKKNBIHDREC-CZNAVJSXSA-N 0 3 510.631 4.565 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OC)c(OC)c2)cc1C ZINC000102878144 555107617 /nfs/dbraw/zinc/10/76/17/555107617.db2.gz PWLLKKNBIHDREC-CJJGVWJISA-N 0 3 510.631 4.565 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102878216 555107567 /nfs/dbraw/zinc/10/75/67/555107567.db2.gz DCAROOLNIOJCSO-CZNAVJSXSA-N 0 3 540.657 4.573 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102878217 555107470 /nfs/dbraw/zinc/10/74/70/555107470.db2.gz DCAROOLNIOJCSO-CJJGVWJISA-N 0 3 540.657 4.573 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)ccc1OC(C)C ZINC000102879000 555108187 /nfs/dbraw/zinc/10/81/87/555108187.db2.gz XHJSQFBWURSUCN-AYWGPLOBSA-N 0 3 515.448 4.918 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)ccc1OC(C)C ZINC000102879002 555108168 /nfs/dbraw/zinc/10/81/68/555108168.db2.gz XHJSQFBWURSUCN-ZHHPLPSFSA-N 0 3 515.448 4.918 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000102879319 555108441 /nfs/dbraw/zinc/10/84/41/555108441.db2.gz OOZTYSMINOMAEH-MIOXIQPJSA-N 0 3 574.674 4.973 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)=C(O)C(=O)N2CCCN(C)C)cc(OC)c1OC ZINC000102879321 555108483 /nfs/dbraw/zinc/10/84/83/555108483.db2.gz OOZTYSMINOMAEH-WGGXKBPPSA-N 0 3 574.674 4.973 50 30 KJEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102879755 555108637 /nfs/dbraw/zinc/10/86/37/555108637.db2.gz NXHPRURSAQSFNP-TXTDGAROSA-N 0 3 514.622 4.956 50 30 KJEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102879756 555108651 /nfs/dbraw/zinc/10/86/51/555108651.db2.gz NXHPRURSAQSFNP-DFXXOVSGSA-N 0 3 514.622 4.956 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102879875 555108964 /nfs/dbraw/zinc/10/89/64/555108964.db2.gz UELVFVXUJMTZDZ-UUALVTFQSA-N 0 3 524.658 4.811 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102879878 555108985 /nfs/dbraw/zinc/10/89/85/555108985.db2.gz UELVFVXUJMTZDZ-ONQGDUAMSA-N 0 3 524.658 4.811 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102880370 555109296 /nfs/dbraw/zinc/10/92/96/555109296.db2.gz BIWOXMKPIVDMRG-ONQGDUAMSA-N 0 3 554.684 4.963 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1C ZINC000102880374 555109329 /nfs/dbraw/zinc/10/93/29/555109329.db2.gz BIWOXMKPIVDMRG-UUALVTFQSA-N 0 3 554.684 4.963 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102880946 555109504 /nfs/dbraw/zinc/10/95/04/555109504.db2.gz XAEHXGIDJLSLCJ-UUALVTFQSA-N 0 3 524.658 4.811 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(OC)c(OC)c1 ZINC000102880946 555109502 /nfs/dbraw/zinc/10/95/02/555109502.db2.gz XAEHXGIDJLSLCJ-UUALVTFQSA-N 0 3 524.658 4.811 50 30 KJEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102880949 555109557 /nfs/dbraw/zinc/10/95/57/555109557.db2.gz XAEHXGIDJLSLCJ-ONQGDUAMSA-N 0 3 524.658 4.811 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000102880949 555109555 /nfs/dbraw/zinc/10/95/55/555109555.db2.gz XAEHXGIDJLSLCJ-ONQGDUAMSA-N 0 3 524.658 4.811 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102881063 555109859 /nfs/dbraw/zinc/10/98/59/555109859.db2.gz YQNLXDZMQXDEHV-IUKMQXEJSA-N 0 3 509.603 4.846 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C ZINC000102881066 555109782 /nfs/dbraw/zinc/10/97/82/555109782.db2.gz YQNLXDZMQXDEHV-NPJIAGGLSA-N 0 3 509.603 4.846 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000102881316 555109874 /nfs/dbraw/zinc/10/98/74/555109874.db2.gz OESSEMRTPJBMHW-ONQGDUAMSA-N 0 3 529.593 4.856 50 30 KJEAHN Cc1cc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)ccc1OCc1ccccc1 ZINC000102881320 555109777 /nfs/dbraw/zinc/10/97/77/555109777.db2.gz OESSEMRTPJBMHW-UUALVTFQSA-N 0 3 529.593 4.856 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102882890 555111392 /nfs/dbraw/zinc/11/13/92/555111392.db2.gz IJAUYSUADCYBON-CJJGVWJISA-N 0 3 510.631 4.645 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000102882892 555111421 /nfs/dbraw/zinc/11/14/21/555111421.db2.gz IJAUYSUADCYBON-CZNAVJSXSA-N 0 3 510.631 4.645 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102883311 555111623 /nfs/dbraw/zinc/11/16/23/555111623.db2.gz KJOLRSKMIWPPDA-UUALVTFQSA-N 0 3 524.658 4.898 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102883311 555111621 /nfs/dbraw/zinc/11/16/21/555111621.db2.gz KJOLRSKMIWPPDA-UUALVTFQSA-N 0 3 524.658 4.898 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102883312 555111661 /nfs/dbraw/zinc/11/16/61/555111661.db2.gz KJOLRSKMIWPPDA-ONQGDUAMSA-N 0 3 524.658 4.898 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)C(=O)C(=O)N2CCN(CC)CC)ccc1O ZINC000102883312 555111659 /nfs/dbraw/zinc/11/16/59/555111659.db2.gz KJOLRSKMIWPPDA-ONQGDUAMSA-N 0 3 524.658 4.898 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1 ZINC000102886535 555116940 /nfs/dbraw/zinc/11/69/40/555116940.db2.gz GFNHKSOWCKOOCO-MOBKVPTQSA-N 0 3 501.421 4.610 50 30 KJEAHN CC(C)Oc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1 ZINC000102886536 555117005 /nfs/dbraw/zinc/11/70/05/555117005.db2.gz GFNHKSOWCKOOCO-HOGKFDNTSA-N 0 3 501.421 4.610 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000102887332 555118947 /nfs/dbraw/zinc/11/89/47/555118947.db2.gz OTEGWKLPVKLPCG-GSYBUTJLSA-N 0 3 556.659 4.971 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000102887334 555118810 /nfs/dbraw/zinc/11/88/10/555118810.db2.gz OTEGWKLPVKLPCG-WENCHWOGSA-N 0 3 556.659 4.971 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000102887335 555118799 /nfs/dbraw/zinc/11/87/99/555118799.db2.gz OTEGWKLPVKLPCG-RWMNMRIUSA-N 0 3 556.659 4.971 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)ccc1OCc1ccccc1 ZINC000102887337 555118886 /nfs/dbraw/zinc/11/88/86/555118886.db2.gz OTEGWKLPVKLPCG-ICQXDZJJSA-N 0 3 556.659 4.971 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000102888381 555121543 /nfs/dbraw/zinc/12/15/43/555121543.db2.gz BOXQWMTUFZWYJN-DFXXOVSGSA-N 0 3 552.668 4.655 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)ccc1OCCC(C)C ZINC000102888382 555121572 /nfs/dbraw/zinc/12/15/72/555121572.db2.gz BOXQWMTUFZWYJN-TXTDGAROSA-N 0 3 552.668 4.655 50 30 KJEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102889724 555124267 /nfs/dbraw/zinc/12/42/67/555124267.db2.gz XFNFXUJWKPUVRF-ONQGDUAMSA-N 0 3 500.595 4.566 50 30 KJEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102889727 555124285 /nfs/dbraw/zinc/12/42/85/555124285.db2.gz XFNFXUJWKPUVRF-UUALVTFQSA-N 0 3 500.595 4.566 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000102893226 555130247 /nfs/dbraw/zinc/13/02/47/555130247.db2.gz RYNKERAJEVSOTL-VEZPTTSMSA-N 0 3 572.658 4.809 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)ccc1OCc1ccccc1 ZINC000102893229 555130119 /nfs/dbraw/zinc/13/01/19/555130119.db2.gz RYNKERAJEVSOTL-QMMFTLRZSA-N 0 3 572.658 4.809 50 30 KJEAHN CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102894213 555132244 /nfs/dbraw/zinc/13/22/44/555132244.db2.gz YUVWHCZKIDHOPK-DFXXOVSGSA-N 0 3 552.668 4.799 50 30 KJEAHN CCCCOc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCN(CC)CC)cc1OCC ZINC000102894215 555132296 /nfs/dbraw/zinc/13/22/96/555132296.db2.gz YUVWHCZKIDHOPK-TXTDGAROSA-N 0 3 552.668 4.799 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(OCc2ccccc2)c1 ZINC000102894391 555132228 /nfs/dbraw/zinc/13/22/28/555132228.db2.gz SCDYEIJZZYOVCS-WGGXKBPPSA-N 0 3 542.632 4.800 50 30 KJEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(OCc2ccccc2)c1 ZINC000102894395 555132305 /nfs/dbraw/zinc/13/23/05/555132305.db2.gz SCDYEIJZZYOVCS-MIOXIQPJSA-N 0 3 542.632 4.800 50 30 KJEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102895543 555134661 /nfs/dbraw/zinc/13/46/61/555134661.db2.gz PHEQVWKRPGZDSO-ONQGDUAMSA-N 0 3 500.595 4.566 50 30 KJEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102895544 555134752 /nfs/dbraw/zinc/13/47/52/555134752.db2.gz PHEQVWKRPGZDSO-UUALVTFQSA-N 0 3 500.595 4.566 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102925321 555149780 /nfs/dbraw/zinc/14/97/80/555149780.db2.gz CAFIJGLDCUVXST-TXTDGAROSA-N 0 3 530.621 4.662 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C(O)C(=O)N2CCCN(C)C)ccc1O ZINC000102925324 555149731 /nfs/dbraw/zinc/14/97/31/555149731.db2.gz CAFIJGLDCUVXST-DFXXOVSGSA-N 0 3 530.621 4.662 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Br)cc2)cc1Cl ZINC000102925617 555149934 /nfs/dbraw/zinc/14/99/34/555149934.db2.gz AWYKCHQQOZRFGQ-MRJHHRETSA-N 0 3 521.839 4.875 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Br)cc2)cc1Cl ZINC000102925621 555149956 /nfs/dbraw/zinc/14/99/56/555149956.db2.gz AWYKCHQQOZRFGQ-JBCNATCCSA-N 0 3 521.839 4.875 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102925768 555150176 /nfs/dbraw/zinc/15/01/76/555150176.db2.gz XFKVLJJTFKIAFL-TXTDGAROSA-N 0 3 560.647 4.583 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102925771 555150201 /nfs/dbraw/zinc/15/02/01/555150201.db2.gz XFKVLJJTFKIAFL-DFXXOVSGSA-N 0 3 560.647 4.583 50 30 KJEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102927308 555151896 /nfs/dbraw/zinc/15/18/96/555151896.db2.gz XQDXPIAGYNWJKR-UUALVTFQSA-N 0 3 524.658 4.811 50 30 KJEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102927310 555151882 /nfs/dbraw/zinc/15/18/82/555151882.db2.gz XQDXPIAGYNWJKR-ONQGDUAMSA-N 0 3 524.658 4.811 50 30 KJEAHN CCOc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000102927331 555151989 /nfs/dbraw/zinc/15/19/89/555151989.db2.gz MEFDZUTUOWGCEJ-DFXXOVSGSA-N 0 3 530.621 4.662 50 30 KJEAHN CCOc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4)cc3C)C(=O)C(=O)N2CCN(C)C)ccc1O ZINC000102927335 555151933 /nfs/dbraw/zinc/15/19/33/555151933.db2.gz MEFDZUTUOWGCEJ-TXTDGAROSA-N 0 3 530.621 4.662 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102928288 555153543 /nfs/dbraw/zinc/15/35/43/555153543.db2.gz CYLUVMFWECOEBE-ONQGDUAMSA-N 0 3 524.658 4.955 50 30 KJEAHN CCCCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(OCC)c(OC)c2)cc1C ZINC000102928289 555153737 /nfs/dbraw/zinc/15/37/37/555153737.db2.gz CYLUVMFWECOEBE-UUALVTFQSA-N 0 3 524.658 4.955 50 30 KJEAHN COc1cc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102930510 555157338 /nfs/dbraw/zinc/15/73/38/555157338.db2.gz VFLYVOYLGVNDMD-TXTDGAROSA-N 0 3 560.647 4.583 50 30 KJEAHN COc1cc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)C(=O)C(=O)N2CCN(C)C)cc(OC)c1OC ZINC000102930514 555157393 /nfs/dbraw/zinc/15/73/93/555157393.db2.gz VFLYVOYLGVNDMD-DFXXOVSGSA-N 0 3 560.647 4.583 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Br)c2)cc1Cl ZINC000102930636 555157291 /nfs/dbraw/zinc/15/72/91/555157291.db2.gz FCNPSIPUGBQHDR-MRJHHRETSA-N 0 3 521.839 4.875 50 30 KJEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Br)c2)cc1Cl ZINC000102930637 555157373 /nfs/dbraw/zinc/15/73/73/555157373.db2.gz FCNPSIPUGBQHDR-JBCNATCCSA-N 0 3 521.839 4.875 50 30 KJEAHN Cc1cn([C@H]2C[C@H](OP(OCCC#N)N(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 571464720 /nfs/dbraw/zinc/46/47/20/571464720.db2.gz ZOIPTUUCAAKGFT-BTGXRGPMSA-N 0 3 649.638 4.659 50 30 KJEAHN Cc1cn([C@H]2C[C@H](OP(OCCC#N)N(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 571464744 /nfs/dbraw/zinc/46/47/44/571464744.db2.gz ZOIPTUUCAAKGFT-IFMXNTJYSA-N 0 3 649.638 4.659 50 30 KJEAHN N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccc(F)cc3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(F)cc3)N=C(N)N2)cc1C#N ZINC000150426021 571490205 /nfs/dbraw/zinc/49/02/05/571490205.db2.gz CCYXYSBRHVXGKC-LQJZCPKCSA-N 0 3 776.859 4.588 50 30 KJEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(F)cc3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccc(F)cc3)N=C(N)N2)cc1C#N ZINC000150426026 571490236 /nfs/dbraw/zinc/49/02/36/571490236.db2.gz CCYXYSBRHVXGKC-CZFRINIUSA-N 0 3 776.859 4.588 50 30 KJEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccc(F)cc3)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccc(F)cc3)N=C(N)N2)cc1C#N ZINC000150426029 571490249 /nfs/dbraw/zinc/49/02/49/571490249.db2.gz CCYXYSBRHVXGKC-CZNDPXEESA-N 0 3 776.859 4.588 50 30 KJEAHN Cc1cccc([C@H]2N=C(N)NC(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@@H](c6cccc(C)c6)N=C(N)N5)cc4C#N)c(C#N)c3)=N2)c1 ZINC000150426313 571490584 /nfs/dbraw/zinc/49/05/84/571490584.db2.gz YQTGSNMWLSMBGU-PXLJZGITSA-N 0 3 768.933 4.926 50 30 KJEAHN Cc1cccc([C@@H]2N=C(N)NC(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@@H](c6cccc(C)c6)N=C(N)N5)cc4C#N)c(C#N)c3)=N2)c1 ZINC000150426317 571490594 /nfs/dbraw/zinc/49/05/94/571490594.db2.gz YQTGSNMWLSMBGU-HJWAMQHWSA-N 0 3 768.933 4.926 50 30 KJEAHN Cc1cccc([C@@H]2N=C(N)NC(SCC(=O)Nc3ccc(Cc4ccc(NC(=O)CSC5=N[C@H](c6cccc(C)c6)N=C(N)N5)cc4C#N)c(C#N)c3)=N2)c1 ZINC000150426323 571490523 /nfs/dbraw/zinc/49/05/23/571490523.db2.gz YQTGSNMWLSMBGU-VSJLXWSYSA-N 0 3 768.933 4.926 50 30 KJEAHN N#Cc1cc(NC(=O)CSC2=N[C@@H](c3ccccc3F)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccccc3F)N=C(N)N2)cc1C#N ZINC000150426897 571491145 /nfs/dbraw/zinc/49/11/45/571491145.db2.gz BDGPGEYVJVVFHQ-LQJZCPKCSA-N 0 3 776.859 4.588 50 30 KJEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccccc3F)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@@H](c3ccccc3F)N=C(N)N2)cc1C#N ZINC000150426903 571491196 /nfs/dbraw/zinc/49/11/96/571491196.db2.gz BDGPGEYVJVVFHQ-CZFRINIUSA-N 0 3 776.859 4.588 50 30 KJEAHN N#Cc1cc(NC(=O)CSC2=N[C@H](c3ccccc3F)N=C(N)N2)ccc1Cc1ccc(NC(=O)CSC2=N[C@H](c3ccccc3F)N=C(N)N2)cc1C#N ZINC000150426911 571491187 /nfs/dbraw/zinc/49/11/87/571491187.db2.gz BDGPGEYVJVVFHQ-CZNDPXEESA-N 0 3 776.859 4.588 50 30 KJEAHN Cc1ccccc1[C@H]1N=C(N)NC(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC4=N[C@@H](c5ccccc5C)N=C(N)N4)cc3C#N)c(C#N)c2)=N1 ZINC000150426920 571491169 /nfs/dbraw/zinc/49/11/69/571491169.db2.gz GOFBFXGFBUUKDB-PXLJZGITSA-N 0 3 768.933 4.926 50 30 KJEAHN Cc1ccccc1[C@@H]1N=C(N)NC(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC4=N[C@@H](c5ccccc5C)N=C(N)N4)cc3C#N)c(C#N)c2)=N1 ZINC000150426928 571491155 /nfs/dbraw/zinc/49/11/55/571491155.db2.gz GOFBFXGFBUUKDB-HJWAMQHWSA-N 0 3 768.933 4.926 50 30 KJEAHN Cc1ccccc1[C@@H]1N=C(N)NC(SCC(=O)Nc2ccc(Cc3ccc(NC(=O)CSC4=N[C@H](c5ccccc5C)N=C(N)N4)cc3C#N)c(C#N)c2)=N1 ZINC000150426932 571491222 /nfs/dbraw/zinc/49/12/22/571491222.db2.gz GOFBFXGFBUUKDB-VSJLXWSYSA-N 0 3 768.933 4.926 50 30 KJEAHN C=CCOc1ccccc1CN[C@H]1C[C@@H](C(=O)NCCc2ccc3c(c2)OCO3)N(Cc2cccc(Cl)c2)C1 ZINC000210982529 1066487402 /nfs/dbraw/zinc/48/74/02/1066487402.db2.gz RONFKITXNOELHM-SVBPBHIXSA-N 0 3 548.083 4.725 50 30 KJEAHN C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(CCCN4CCOCC4)Cc4cccc(OC)c4OC)[C@@H]3C[C@@H]12 ZINC000253488024 572291176 /nfs/dbraw/zinc/29/11/76/572291176.db2.gz VPSXFBMPWJDTHT-BRKADDCESA-N 0 3 526.718 4.542 50 30 KJEAHN C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(CCCN4CCOCC4)Cc4cccc(OC)c4OC)[C@@H]3C[C@H]12 ZINC000253488025 572291144 /nfs/dbraw/zinc/29/11/44/572291144.db2.gz VPSXFBMPWJDTHT-CAIRVTJKSA-N 0 3 526.718 4.542 50 30 KJEAHN C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(CCCN4CCOCC4)Cc4cccc(OC)c4OC)[C@H]3C[C@@H]12 ZINC000253488026 572291170 /nfs/dbraw/zinc/29/11/70/572291170.db2.gz VPSXFBMPWJDTHT-LOLUSIPUSA-N 0 3 526.718 4.542 50 30 KJEAHN C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(CCCN4CCOCC4)Cc4cccc(OC)c4OC)[C@H]3C[C@H]12 ZINC000253488027 572291134 /nfs/dbraw/zinc/29/11/34/572291134.db2.gz VPSXFBMPWJDTHT-NBIOCURESA-N 0 3 526.718 4.542 50 30 KJEAHN CCN(C[C@@H]1CCCN2CCCC[C@H]12)C1=CC(=O)[C@@]2(Oc3c(c(OC)cc(OC)c3Cl)C2=O)[C@H](C)C1 ZINC000823069311 1066502297 /nfs/dbraw/zinc/50/22/97/1066502297.db2.gz ICKICYHWPBNQDQ-NVARFXFWSA-N 0 3 517.066 4.750 50 30 KJEAHN