smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN(CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1)C1CCCC1 ZINC000057991498 518747224 /nfs/dbraw/zinc/74/72/24/518747224.db2.gz NGWQJQMUHDGBMZ-UHFFFAOYSA-N 0 3 441.597 3.103 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cc(F)ccc1F)C2 ZINC000014733163 519288489 /nfs/dbraw/zinc/28/84/89/519288489.db2.gz LQFZTBNSQKVJQP-KRWDZBQOSA-N 0 3 432.540 3.183 50 30 IGEAHN CC[NH+](CC)C[C@H](/C(C)=N/N=C(N)N)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000039944225 520728515 /nfs/dbraw/zinc/72/85/15/520728515.db2.gz VQCXVBUXXLNEKR-LORZKQMCSA-N 0 3 449.555 3.238 50 30 IGEAHN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000013684880 527606245 /nfs/dbraw/zinc/60/62/45/527606245.db2.gz GSAPDUCSWSJTGI-IBGZPJMESA-N 0 3 430.936 3.220 50 30 IGEAHN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@@H]1[C@H](CN3CCN(c4ccc(F)cc4)CC3)C(=O)O[C@@H]1C2 ZINC000061992845 556766983 /nfs/dbraw/zinc/76/69/83/556766983.db2.gz FIUCPZNGVDJLBY-NMVSFQQOSA-N 0 3 428.548 3.475 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)O[C@@H](C)C3)[C@@H]1c1ccncc1 ZINC000019861504 556933694 /nfs/dbraw/zinc/93/36/94/556933694.db2.gz DYXWJCDPHQPLEQ-AOMKIAJQSA-N 0 3 435.524 3.325 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1F ZINC000020219315 556999583 /nfs/dbraw/zinc/99/95/83/556999583.db2.gz IEGAXJLXQHDSFR-OAQYLSRUSA-N 0 3 440.471 3.127 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C)o1 ZINC000020291580 557005987 /nfs/dbraw/zinc/00/59/87/557005987.db2.gz GKHZWTDWSIMJJC-OAQYLSRUSA-N 0 3 440.496 3.279 50 30 IGEAHN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)cc2C)C(=O)C(=O)N1CCN(C)C ZINC000102533191 557343787 /nfs/dbraw/zinc/34/37/87/557343787.db2.gz RHROIRXDIZTISV-HOGKFDNTSA-N 0 3 438.524 3.386 50 30 IGEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccs1 ZINC000102516980 557350575 /nfs/dbraw/zinc/35/05/75/557350575.db2.gz QWMFWRGUUXELAV-ZMESVYRVSA-N 0 3 438.553 3.386 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(F)c1 ZINC000102528300 557354135 /nfs/dbraw/zinc/35/41/35/557354135.db2.gz QCBDFFOWWRGMFN-OBVHCKHUSA-N 0 3 436.487 3.155 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(F)c1 ZINC000102528300 557354137 /nfs/dbraw/zinc/35/41/37/557354137.db2.gz QCBDFFOWWRGMFN-OBVHCKHUSA-N 0 3 436.487 3.155 50 30 IGEAHN CC(C)(C)c1cc(C(=O)C[n+]2ccc(C(=O)NCCCO)cc2)cc(C(C)(C)C)c1[O-] ZINC000001951260 562925503 /nfs/dbraw/zinc/92/55/03/562925503.db2.gz YXVYDJPZSJKYRA-UHFFFAOYSA-O 0 3 427.565 3.270 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)cc1OC ZINC000020188867 569355581 /nfs/dbraw/zinc/35/55/81/569355581.db2.gz JCGYJVPNRRBUPU-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(Br)cc1 ZINC000020219573 569356864 /nfs/dbraw/zinc/35/68/64/569356864.db2.gz SDKGNKZDPIOIML-GOSISDBHSA-N 0 3 444.329 3.374 50 30 IGEAHN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020229764 569357005 /nfs/dbraw/zinc/35/70/05/569357005.db2.gz UKYWCNSMIBRMKO-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000008836738 569478127 /nfs/dbraw/zinc/47/81/27/569478127.db2.gz OJPOKESGMMNQLV-HXUWFJFHSA-N 0 3 438.915 3.436 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000008981551 569494426 /nfs/dbraw/zinc/49/44/26/569494426.db2.gz NMZXEJFIMLISCP-WOOAAIBNSA-N 0 3 427.432 3.107 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000009046067 569498255 /nfs/dbraw/zinc/49/82/55/569498255.db2.gz ONNHNDMXRCJAMA-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cc1Cl ZINC000009186651 569510284 /nfs/dbraw/zinc/51/02/84/569510284.db2.gz NDUAKGBXIMPKCI-LFVOPCPISA-N 0 3 429.904 3.117 50 30 IGEAHN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000009313144 569521893 /nfs/dbraw/zinc/52/18/93/569521893.db2.gz DFWZAZBAQUKKKJ-NYHFZMIOSA-N 0 3 436.508 3.246 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000008743677 556207996 /nfs/dbraw/zinc/20/79/96/556207996.db2.gz SMLARPAUGADJCB-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN C[C@]12CCC[C@]3(CO3)[C@H]1C[C@@H]1[C@H](CN3CCN(c4ccc(F)cc4)CC3)C(=O)O[C@@H]1C2 ZINC000061992846 556767174 /nfs/dbraw/zinc/76/71/74/556767174.db2.gz FIUCPZNGVDJLBY-JWGCJKGUSA-N 0 3 428.548 3.475 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1cccc(F)c1 ZINC000019880099 556936871 /nfs/dbraw/zinc/93/68/71/556936871.db2.gz JQUJHOPFVZNYLF-NRFANRHFSA-N 0 3 440.471 3.475 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(OC)c1OC ZINC000020219605 556999980 /nfs/dbraw/zinc/99/99/80/556999980.db2.gz RDVFABVUJKOGPQ-HXUWFJFHSA-N 0 3 439.512 3.019 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020264223 557004465 /nfs/dbraw/zinc/00/44/65/557004465.db2.gz GLLDUDUWIKMEJX-HXUWFJFHSA-N 0 3 428.485 3.217 50 30 IGEAHN C(#C[Si](C#CCN1CCCCC1)(c1ccccc1)c1ccccc1)CN1CCCCC1 ZINC000223245275 557213351 /nfs/dbraw/zinc/21/33/51/557213351.db2.gz LSQFTVRGNZJXQS-UHFFFAOYSA-N 0 3 426.680 3.307 50 30 IGEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1ccncc1 ZINC000102169354 557313977 /nfs/dbraw/zinc/31/39/77/557313977.db2.gz GEUHYAMTUJHIOC-MOBKVPTQSA-N 0 3 437.540 3.408 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102875171 557396787 /nfs/dbraw/zinc/39/67/87/557396787.db2.gz DATCASNBGRYLHJ-GHNGSUTGSA-N 0 3 429.542 3.142 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccccc1F ZINC000102931275 557412824 /nfs/dbraw/zinc/41/28/24/557412824.db2.gz GVTSLZQIHJPCKU-LCPUNJGISA-N 0 3 441.459 3.497 50 30 IGEAHN CCN=C(NCc1ccc2c(c1)OCO2)S[C@@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000001062345 568656088 /nfs/dbraw/zinc/65/60/88/568656088.db2.gz YVODPAATUVSFHD-GOSISDBHSA-N 0 3 429.473 3.085 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cccc(F)c1F)C2 ZINC000014537732 568826434 /nfs/dbraw/zinc/82/64/34/568826434.db2.gz YEAARDMTUUJMGM-MRXNPFEDSA-N 0 3 432.540 3.183 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccc(F)c(F)c1)C2 ZINC000014733515 568827016 /nfs/dbraw/zinc/82/70/16/568827016.db2.gz BPSZAPBVBMVUPA-INIZCTEOSA-N 0 3 432.540 3.183 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cccc(Br)c1 ZINC000104189289 568900858 /nfs/dbraw/zinc/90/08/58/568900858.db2.gz DHEKSKAQXPZOPS-HVESIFNPSA-N 0 3 433.302 3.416 50 30 IGEAHN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000020150019 569336395 /nfs/dbraw/zinc/33/63/95/569336395.db2.gz GNWISGDTDXOBGH-FQEVSTJZSA-N 0 3 439.468 3.133 50 30 IGEAHN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020229762 569356945 /nfs/dbraw/zinc/35/69/45/569356945.db2.gz UKYWCNSMIBRMKO-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)cc1OC ZINC000020233023 569357109 /nfs/dbraw/zinc/35/71/09/569357109.db2.gz PTTUVMQGZCTRRS-IBGZPJMESA-N 0 3 430.526 3.295 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1Cl ZINC000020233659 569357253 /nfs/dbraw/zinc/35/72/53/569357253.db2.gz NTJJQXOVEHFXBA-IBGZPJMESA-N 0 3 429.904 3.274 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009008080 569496168 /nfs/dbraw/zinc/49/61/68/569496168.db2.gz SVLXVQBOQRBTFD-YDJIHCHBSA-N 0 3 441.459 3.497 50 30 IGEAHN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1 ZINC000009046448 569498376 /nfs/dbraw/zinc/49/83/76/569498376.db2.gz UPVLRPQBCKTSIB-OAQYLSRUSA-N 0 3 432.524 3.481 50 30 IGEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1 ZINC000009046448 569498377 /nfs/dbraw/zinc/49/83/77/569498377.db2.gz UPVLRPQBCKTSIB-OAQYLSRUSA-N 0 3 432.524 3.481 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000009067144 569499931 /nfs/dbraw/zinc/49/99/31/569499931.db2.gz MODGYHMYOIXCNQ-JOCHJYFZSA-N 0 3 448.523 3.181 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009067144 569499932 /nfs/dbraw/zinc/49/99/32/569499932.db2.gz MODGYHMYOIXCNQ-JOCHJYFZSA-N 0 3 448.523 3.181 50 30 IGEAHN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000009312533 569521855 /nfs/dbraw/zinc/52/18/55/569521855.db2.gz DFWZAZBAQUKKKJ-OYHNWAKOSA-N 0 3 436.508 3.246 50 30 IGEAHN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000009313143 569521944 /nfs/dbraw/zinc/52/19/44/569521944.db2.gz DFWZAZBAQUKKKJ-QRQCRPRQSA-N 0 3 436.508 3.246 50 30 IGEAHN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009354183 569525063 /nfs/dbraw/zinc/52/50/63/569525063.db2.gz OAGOEOHMPOPIJV-MOBKVPTQSA-N 0 3 436.508 3.140 50 30 IGEAHN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccs2)c1C ZINC000013692614 521361607 /nfs/dbraw/zinc/36/16/07/521361607.db2.gz CZQRRBSHYFNHDY-GOSISDBHSA-N 0 3 445.541 3.010 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000013732774 523552351 /nfs/dbraw/zinc/55/23/51/523552351.db2.gz COBNZBSSLCZRCM-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(Br)c1 ZINC000013127268 524055969 /nfs/dbraw/zinc/05/59/69/524055969.db2.gz VFHQYXLFUXAKER-SFHVURJKSA-N 0 3 444.329 3.374 50 30 IGEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1Cl ZINC000009123640 556248268 /nfs/dbraw/zinc/24/82/68/556248268.db2.gz JDQOWFLMCMQYIS-LJQANCHMSA-N 0 3 429.904 3.274 50 30 IGEAHN CCN(CC)[C@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000032802491 556364995 /nfs/dbraw/zinc/36/49/95/556364995.db2.gz AYAMVXRSZGLZBH-RUZDIDTESA-N 0 3 449.599 3.477 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)c(OC)c1 ZINC000013732873 556720833 /nfs/dbraw/zinc/72/08/33/556720833.db2.gz SMSMYZNLZCPXRY-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccnc3)oc21 ZINC000020219435 557000011 /nfs/dbraw/zinc/00/00/11/557000011.db2.gz YRDISLXAXIGGLJ-FQEVSTJZSA-N 0 3 435.480 3.366 50 30 IGEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000020393922 557013076 /nfs/dbraw/zinc/01/30/76/557013076.db2.gz VSNSCYXKDQNYFT-JOCHJYFZSA-N 0 3 436.508 3.487 50 30 IGEAHN CCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCCN(C)C ZINC000024147607 557139054 /nfs/dbraw/zinc/13/90/54/557139054.db2.gz WXHPJMAMPTXLMV-SANMLTNESA-N 0 3 447.535 3.046 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102529712 557340962 /nfs/dbraw/zinc/34/09/62/557340962.db2.gz JEMPUNZOJLIUGA-HOGKFDNTSA-N 0 3 438.524 3.386 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(F)c1 ZINC000102528291 557353977 /nfs/dbraw/zinc/35/39/77/557353977.db2.gz QCBDFFOWWRGMFN-PGVNHDJNSA-N 0 3 436.487 3.155 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(F)c1 ZINC000102528291 557353980 /nfs/dbraw/zinc/35/39/80/557353980.db2.gz QCBDFFOWWRGMFN-PGVNHDJNSA-N 0 3 436.487 3.155 50 30 IGEAHN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)c(C)n1 ZINC000102735416 557372808 /nfs/dbraw/zinc/37/28/08/557372808.db2.gz GNPHZXCMYSVEKE-LFVOPCPISA-N 0 3 428.920 3.120 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000102749690 557379144 /nfs/dbraw/zinc/37/91/44/557379144.db2.gz QUXGLZYSGFDMGB-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000102737285 557379456 /nfs/dbraw/zinc/37/94/56/557379456.db2.gz DCGJEYIJBRMXFR-JBCNATCCSA-N 0 3 440.544 3.187 50 30 IGEAHN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000102738595 557379822 /nfs/dbraw/zinc/37/98/22/557379822.db2.gz MPDQEUGWGUHASQ-WOOAAIBNSA-N 0 3 430.936 3.064 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102890908 557405374 /nfs/dbraw/zinc/40/53/74/557405374.db2.gz NOIHRFZSKCIVKX-CBLITQMPSA-N 0 3 436.508 3.002 50 30 IGEAHN O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1 ZINC000012050077 562980558 /nfs/dbraw/zinc/98/05/58/562980558.db2.gz ITNJZGBIMKEQJL-HSZRJFAPSA-N 0 3 428.536 3.457 50 30 IGEAHN O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCCN(Cc2ccc(C#CCCO)cc2)C1 ZINC000012050079 562980564 /nfs/dbraw/zinc/98/05/64/562980564.db2.gz ITNJZGBIMKEQJL-QHCPKHFHSA-N 0 3 428.536 3.457 50 30 IGEAHN COc1ccc(OC)c([C@@H]2C(C(=O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020191942 569355609 /nfs/dbraw/zinc/35/56/09/569355609.db2.gz GSEJEPRCUQOVNZ-JOCHJYFZSA-N 0 3 438.524 3.461 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000020229668 569357052 /nfs/dbraw/zinc/35/70/52/569357052.db2.gz KBLQOFOYVTWNHD-FQEVSTJZSA-N 0 3 444.915 3.497 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009015296 569496743 /nfs/dbraw/zinc/49/67/43/569496743.db2.gz BOLUAHJTTSXMQB-IVZQSRNASA-N 0 3 436.508 3.159 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(F)c1 ZINC000009042082 569497647 /nfs/dbraw/zinc/49/76/47/569497647.db2.gz JVLTXQIDXNJGDH-NRFANRHFSA-N 0 3 436.487 3.312 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(F)c1 ZINC000009042082 569497648 /nfs/dbraw/zinc/49/76/48/569497648.db2.gz JVLTXQIDXNJGDH-NRFANRHFSA-N 0 3 436.487 3.312 50 30 IGEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000009301881 569520735 /nfs/dbraw/zinc/52/07/35/569520735.db2.gz WUKGXAQTFWADFN-KRWDZBQOSA-N 0 3 444.513 3.198 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000013718638 524170408 /nfs/dbraw/zinc/17/04/08/524170408.db2.gz HRRWSSNMXRNRAR-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000013691366 527605968 /nfs/dbraw/zinc/60/59/68/527605968.db2.gz UHFFWPBAVXXKCH-LJQANCHMSA-N 0 3 430.936 3.220 50 30 IGEAHN CCN(CCCNc1nc2ccccc2nc1C(C#N)C(=O)OC)C(=O)OC(C)(C)C ZINC000032913356 556598174 /nfs/dbraw/zinc/59/81/74/556598174.db2.gz OZKABBGUTADYDG-HNNXBMFYSA-N 0 3 427.505 3.469 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102500916 557338159 /nfs/dbraw/zinc/33/81/59/557338159.db2.gz NFDNMZIQTIRFPY-SELCWUDQSA-N 0 3 429.542 3.142 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102862489 557402885 /nfs/dbraw/zinc/40/28/85/557402885.db2.gz JWDCDDDKMPALTF-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)o2)cc1OC ZINC000020228159 569356947 /nfs/dbraw/zinc/35/69/47/569356947.db2.gz AYERMWKIBKOYLU-FQEVSTJZSA-N 0 3 428.485 3.135 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000020229666 569357065 /nfs/dbraw/zinc/35/70/65/569357065.db2.gz KBLQOFOYVTWNHD-HXUWFJFHSA-N 0 3 444.915 3.497 50 30 IGEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccncc3)oc21 ZINC000008817857 569476950 /nfs/dbraw/zinc/47/69/50/569476950.db2.gz WULZDBUHNMLIEU-YDJIHCHBSA-N 0 3 435.480 3.210 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000008836736 569478193 /nfs/dbraw/zinc/47/81/93/569478193.db2.gz OJPOKESGMMNQLV-FQEVSTJZSA-N 0 3 438.915 3.436 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000009043450 569497811 /nfs/dbraw/zinc/49/78/11/569497811.db2.gz MMZDYQROWAPWNR-MRJHHRETSA-N 0 3 442.512 3.369 50 30 IGEAHN CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(OC)c(C)c2)C(=O)C(=O)N1CCN(C)C ZINC000009070770 569500111 /nfs/dbraw/zinc/50/01/11/569500111.db2.gz PMYVDDFDPGBYRS-HOGKFDNTSA-N 0 3 438.524 3.386 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000009186454 569510192 /nfs/dbraw/zinc/51/01/92/569510192.db2.gz LOIIZOFEJSIEBL-HOGKFDNTSA-N 0 3 438.524 3.386 50 30 IGEAHN COc1cc(-c2nnc(SCC(=O)C(C#N)c3nc(C)cs3)o2)cc(OC)c1OC ZINC000009244736 569515161 /nfs/dbraw/zinc/51/51/61/569515161.db2.gz CHVOUFVLCXGHON-GFCCVEGCSA-N 0 3 446.510 3.496 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009333800 569523097 /nfs/dbraw/zinc/52/30/97/569523097.db2.gz BRAWZWGDUMFEQN-NHFXJNLRSA-N 0 3 441.459 3.497 50 30 IGEAHN C#Cc1cccc(NC(=O)c2nnn(-c3cccc4c3CCN(C3CCOCC3)C4)c2C)c1 ZINC000071890402 518367112 /nfs/dbraw/zinc/36/71/12/518367112.db2.gz YYVQGSGDLAQQAC-UHFFFAOYSA-N 0 3 441.535 3.346 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000013718640 524110634 /nfs/dbraw/zinc/11/06/34/524110634.db2.gz HRRWSSNMXRNRAR-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)cnn1-c1ccccc1 ZINC000009275664 525552151 /nfs/dbraw/zinc/55/21/51/525552151.db2.gz MEHNLUFNFXEUTA-NRFANRHFSA-N 0 3 434.496 3.304 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000009271353 556271078 /nfs/dbraw/zinc/27/10/78/556271078.db2.gz URKSMSHSWHRYRE-FQEVSTJZSA-N 0 3 439.468 3.052 50 30 IGEAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@@H]5C[C@H]34)CC2)c1 ZINC000229992597 556433351 /nfs/dbraw/zinc/43/33/51/556433351.db2.gz SGDNDBSJHXDOKR-WIAZEZMVSA-N 0 3 440.584 3.344 50 30 IGEAHN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(OC(C)C)c1 ZINC000013720404 556717034 /nfs/dbraw/zinc/71/70/34/556717034.db2.gz LDTUTINKTZTNSZ-OAQYLSRUSA-N 0 3 440.544 3.344 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)O[C@H](C)C3)[C@@H]1c1ccncc1 ZINC000019861500 556933681 /nfs/dbraw/zinc/93/36/81/556933681.db2.gz DYXWJCDPHQPLEQ-ZHRRBRCNSA-N 0 3 435.524 3.325 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(F)cc1 ZINC000020219325 556999640 /nfs/dbraw/zinc/99/96/40/556999640.db2.gz DFSUOSHOIASEFK-OAQYLSRUSA-N 0 3 440.471 3.127 50 30 IGEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020263692 557004182 /nfs/dbraw/zinc/00/41/82/557004182.db2.gz JDPFSWTVGBLMNO-JOCHJYFZSA-N 0 3 436.508 3.400 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccncc1 ZINC000102749110 557379210 /nfs/dbraw/zinc/37/92/10/557379210.db2.gz YWGYWQQWNDAYTC-WOOAAIBNSA-N 0 3 429.904 3.117 50 30 IGEAHN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(OC(C)C)cc1 ZINC000102737282 557379481 /nfs/dbraw/zinc/37/94/81/557379481.db2.gz DCGJEYIJBRMXFR-MRJHHRETSA-N 0 3 440.544 3.187 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102873163 557396201 /nfs/dbraw/zinc/39/62/01/557396201.db2.gz DGCXCOCYWZWAAS-MOBKVPTQSA-N 0 3 438.524 3.466 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1F ZINC000102877426 557406611 /nfs/dbraw/zinc/40/66/11/557406611.db2.gz LPHKZGOMKYXDKO-PGVNHDJNSA-N 0 3 436.487 3.155 50 30 IGEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000102881713 557408101 /nfs/dbraw/zinc/40/81/01/557408101.db2.gz ROSDCYMUUHATRS-GROYHEBESA-N 0 3 444.513 3.042 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1ccncc1 ZINC000019999370 569180141 /nfs/dbraw/zinc/18/01/41/569180141.db2.gz PIFAVICVMWGYQX-FQEVSTJZSA-N 0 3 427.476 3.149 50 30 IGEAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@]56O[C@@H]6[C@H]34)CC2)c1 ZINC000252693300 569210843 /nfs/dbraw/zinc/21/08/43/569210843.db2.gz BWCCPKOGNYJWSN-JPOWVWCISA-N 0 3 440.584 3.343 50 30 IGEAHN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000020133222 569335570 /nfs/dbraw/zinc/33/55/70/569335570.db2.gz VKRMJTNKNNRVDL-HXUWFJFHSA-N 0 3 439.468 3.133 50 30 IGEAHN Cc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCCN(C)C)o1 ZINC000009235678 569514084 /nfs/dbraw/zinc/51/40/84/569514084.db2.gz SOZIAWIJIKEKFA-HXUWFJFHSA-N 0 3 436.512 3.383 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009240096 569514590 /nfs/dbraw/zinc/51/45/90/569514590.db2.gz FPEZWCBRLDVMHM-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009333957 569523235 /nfs/dbraw/zinc/52/32/35/569523235.db2.gz BZDMHZFMRRSMKJ-WOOAAIBNSA-N 0 3 427.432 3.107 50 30 IGEAHN CCN1CCN(CC(=O)C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000022035832 521676983 /nfs/dbraw/zinc/67/69/83/521676983.db2.gz VHZYPYZXZFMUEC-MRXNPFEDSA-N 0 3 433.375 3.386 50 30 IGEAHN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(Cl)c1 ZINC000019897770 521755289 /nfs/dbraw/zinc/75/52/89/521755289.db2.gz NGLYRQGVSHDDGJ-FQEVSTJZSA-N 0 3 442.899 3.251 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(F)c2)c(OC)c1 ZINC000013692863 523553969 /nfs/dbraw/zinc/55/39/69/523553969.db2.gz MOQVRJWRDDMVPU-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000012576518 524173617 /nfs/dbraw/zinc/17/36/17/524173617.db2.gz SUVLRYQWBKQNKU-SFHVURJKSA-N 0 3 430.526 3.295 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000012468004 525386613 /nfs/dbraw/zinc/38/66/13/525386613.db2.gz WCINFJXLOVLGLP-QFIPXVFZSA-N 0 3 438.524 3.461 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000016805247 556643338 /nfs/dbraw/zinc/64/33/38/556643338.db2.gz CSEIDHIJPJSCID-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000013730692 556720480 /nfs/dbraw/zinc/72/04/80/556720480.db2.gz VSSFVAILQZDEDQ-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccnc1 ZINC000013729014 556721237 /nfs/dbraw/zinc/72/12/37/556721237.db2.gz YUMLCOQYPYVDHR-IBGZPJMESA-N 0 3 429.904 3.274 50 30 IGEAHN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000020193216 556996790 /nfs/dbraw/zinc/99/67/90/556996790.db2.gz YLSJBVUFVTXELV-FQEVSTJZSA-N 0 3 442.899 3.251 50 30 IGEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)ccc1OCC(C)C ZINC000102175644 557314281 /nfs/dbraw/zinc/31/42/81/557314281.db2.gz MOJWQPDBELFZCY-MOBKVPTQSA-N 0 3 437.540 3.408 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000102489135 557331959 /nfs/dbraw/zinc/33/19/59/557331959.db2.gz DWRKJQACMLNDAT-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)c(C)n1 ZINC000102735413 557372802 /nfs/dbraw/zinc/37/28/02/557372802.db2.gz GNPHZXCMYSVEKE-WOOAAIBNSA-N 0 3 428.920 3.120 50 30 IGEAHN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000102738599 557379778 /nfs/dbraw/zinc/37/97/78/557379778.db2.gz MPDQEUGWGUHASQ-LFVOPCPISA-N 0 3 430.936 3.064 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1Cl ZINC000102872968 557395828 /nfs/dbraw/zinc/39/58/28/557395828.db2.gz NOEBEBIINRGRPE-LFVOPCPISA-N 0 3 429.904 3.117 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cc(F)cc(F)c1)C2 ZINC000014746662 568826939 /nfs/dbraw/zinc/82/69/39/568826939.db2.gz HBGNDSMYAHXGFM-GOSISDBHSA-N 0 3 432.540 3.183 50 30 IGEAHN COc1ccc(OC)c(-c2csc(-c3c(N)n(CC[C@H]4CCC[N@@H+]4C)c(C)c3O)n2)c1 ZINC000169678627 568989902 /nfs/dbraw/zinc/98/99/02/568989902.db2.gz AHTWJWHMEYZGSU-LSDHHAIUSA-N 0 3 442.585 3.212 50 30 IGEAHN COc1ccc(OC)c(-c2csc(C3=C(N)N(CC[C@H]4CCCN4C)[C@@H](C)C3=O)n2)c1 ZINC000169678627 568989905 /nfs/dbraw/zinc/98/99/05/568989905.db2.gz AHTWJWHMEYZGSU-LSDHHAIUSA-N 0 3 442.585 3.212 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)cc1OC ZINC000020188864 569355635 /nfs/dbraw/zinc/35/56/35/569355635.db2.gz JCGYJVPNRRBUPU-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cc(OC)ccc1OC ZINC000020219607 569356798 /nfs/dbraw/zinc/35/67/98/569356798.db2.gz PXQLIOFLMVATQX-OAQYLSRUSA-N 0 3 439.512 3.019 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000020219556 569356837 /nfs/dbraw/zinc/35/68/37/569356837.db2.gz LWRQORWTEIRUAD-NRFANRHFSA-N 0 3 439.512 3.019 50 30 IGEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000008985745 569494831 /nfs/dbraw/zinc/49/48/31/569494831.db2.gz TWSLEUPJDUCVJU-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1cccc(OC)c1 ZINC000009046342 569498405 /nfs/dbraw/zinc/49/84/05/569498405.db2.gz XGIGPNCKSIOIAU-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccnc1 ZINC000009177858 569509770 /nfs/dbraw/zinc/50/97/70/569509770.db2.gz MPQQJTISSCWSDC-SELCWUDQSA-N 0 3 444.329 3.218 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000009302008 569520744 /nfs/dbraw/zinc/52/07/44/569520744.db2.gz FHDZKCUJRQUGPO-GHNGSUTGSA-N 0 3 429.498 3.420 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009302007 569520771 /nfs/dbraw/zinc/52/07/71/569520771.db2.gz FHDZKCUJRQUGPO-SELCWUDQSA-N 0 3 429.498 3.420 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000102715662 524168076 /nfs/dbraw/zinc/16/80/76/524168076.db2.gz BSWQAWGPIBCPPP-MRJHHRETSA-N 0 3 438.524 3.386 50 30 IGEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3ccncc3)oc21 ZINC000020219432 524257514 /nfs/dbraw/zinc/25/75/14/524257514.db2.gz VKRBQYHXPAWTDA-HXUWFJFHSA-N 0 3 435.480 3.366 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000012468005 525217777 /nfs/dbraw/zinc/21/77/77/525217777.db2.gz WCINFJXLOVLGLP-JOCHJYFZSA-N 0 3 438.524 3.461 50 30 IGEAHN CCN(CC)[C@@H](CNC(=O)N1CCN(Cc2ccc(C#N)cc2)CC1)c1cccc(OC)c1 ZINC000032802489 556365060 /nfs/dbraw/zinc/36/50/60/556365060.db2.gz AYAMVXRSZGLZBH-VWLOTQADSA-N 0 3 449.599 3.477 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C)cc1 ZINC000019861565 556933880 /nfs/dbraw/zinc/93/38/80/556933880.db2.gz UJDRHTMJZZCKID-JOCHJYFZSA-N 0 3 432.524 3.481 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@H]1c1cccnc1 ZINC000019884929 556938188 /nfs/dbraw/zinc/93/81/88/556938188.db2.gz SZHKAAQNDJFQAU-GOSISDBHSA-N 0 3 444.329 3.374 50 30 IGEAHN CCCN1c2ccccc2[C@@]2(C1=O)C(C(=O)c1ccccc1)=C(O)C(=O)N2CCCN(C)C ZINC000024192935 557140125 /nfs/dbraw/zinc/14/01/25/557140125.db2.gz ZYPDPKXZNZXDSU-SANMLTNESA-N 0 3 447.535 3.127 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000102488717 557332016 /nfs/dbraw/zinc/33/20/16/557332016.db2.gz KZMGYBDTXNYVSH-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@H]2c2cccc(OC)c2)c1 ZINC000102534331 557344499 /nfs/dbraw/zinc/34/44/99/557344499.db2.gz CBYGMHKZFHIOFC-MOBKVPTQSA-N 0 3 447.491 3.412 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102873166 557396167 /nfs/dbraw/zinc/39/61/67/557396167.db2.gz DGCXCOCYWZWAAS-HOGKFDNTSA-N 0 3 438.524 3.466 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)cc1OC ZINC000020171100 569354448 /nfs/dbraw/zinc/35/44/48/569354448.db2.gz FJEKNOVAUNEVKK-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)cc1 ZINC000009008719 569496382 /nfs/dbraw/zinc/49/63/82/569496382.db2.gz YMQOJQVHHVUZHI-MOBKVPTQSA-N 0 3 436.508 3.243 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1cc(OC)ccc1OC ZINC000009042124 569497670 /nfs/dbraw/zinc/49/76/70/569497670.db2.gz KNLSYRXTJNRDJL-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009339596 569523746 /nfs/dbraw/zinc/52/37/46/569523746.db2.gz IXMVVMPFGGMFAX-HXUWFJFHSA-N 0 3 428.485 3.135 50 30 IGEAHN C=CCOc1ccccc1CN1CCC([C@]2(Cc3ccccc3F)NC(=O)NC2=O)CC1 ZINC000012160830 519070284 /nfs/dbraw/zinc/07/02/84/519070284.db2.gz VLPIKHUCJMVGEJ-VWLOTQADSA-N 0 3 437.515 3.423 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)o2)cc1OC ZINC000020228156 523549388 /nfs/dbraw/zinc/54/93/88/523549388.db2.gz AYERMWKIBKOYLU-HXUWFJFHSA-N 0 3 428.485 3.135 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1OC ZINC000020171101 523552906 /nfs/dbraw/zinc/55/29/06/523552906.db2.gz FJEKNOVAUNEVKK-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccncc1 ZINC000013725610 556719387 /nfs/dbraw/zinc/71/93/87/556719387.db2.gz HCOUUFBZRHJUEZ-LJQANCHMSA-N 0 3 429.904 3.274 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000019927969 556946122 /nfs/dbraw/zinc/94/61/22/556946122.db2.gz NZNHBZWRPQRDJM-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(F)c1 ZINC000020229310 557001728 /nfs/dbraw/zinc/00/17/28/557001728.db2.gz USRQWQABRRJWSW-OAQYLSRUSA-N 0 3 440.471 3.127 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020265627 557004446 /nfs/dbraw/zinc/00/44/46/557004446.db2.gz SICIVVVNDVBRRO-LJQANCHMSA-N 0 3 430.526 3.295 50 30 IGEAHN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102513363 557350287 /nfs/dbraw/zinc/35/02/87/557350287.db2.gz XMFMLDHMIUKMHT-CBLITQMPSA-N 0 3 436.508 3.089 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(F)cc1 ZINC000102615416 557359332 /nfs/dbraw/zinc/35/93/32/557359332.db2.gz DPAZGJWKKPHCGO-YDJIHCHBSA-N 0 3 441.459 3.497 50 30 IGEAHN C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCCCN12 ZINC000100206597 557367465 /nfs/dbraw/zinc/36/74/65/557367465.db2.gz JNHADTJUPUDAGI-CQAGSAPUSA-N 0 3 427.504 3.088 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)c(OC)c1 ZINC000102746506 557378374 /nfs/dbraw/zinc/37/83/74/557378374.db2.gz AWIRZBYWBJHNGP-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCCN(C)C ZINC000102875846 557397298 /nfs/dbraw/zinc/39/72/98/557397298.db2.gz XWDXMAKGTDMBDS-SELCWUDQSA-N 0 3 429.542 3.142 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cc(F)cc(F)c1)C2 ZINC000014746663 568826974 /nfs/dbraw/zinc/82/69/74/568826974.db2.gz HBGNDSMYAHXGFM-SFHVURJKSA-N 0 3 432.540 3.183 50 30 IGEAHN C=C(C)[C@@H]1CC=C(CN2CCc3nnc(CNC(=O)Cc4cccc(F)c4)n3CC2)CC1 ZINC000014999008 568827935 /nfs/dbraw/zinc/82/79/35/568827935.db2.gz LQEMIEQIXKVDNP-OAQYLSRUSA-N 0 3 437.563 3.437 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1ccncc1 ZINC000019999373 569180139 /nfs/dbraw/zinc/18/01/39/569180139.db2.gz PIFAVICVMWGYQX-HXUWFJFHSA-N 0 3 427.476 3.149 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C)cc1 ZINC000008896380 569483929 /nfs/dbraw/zinc/48/39/29/569483929.db2.gz ISQGXMBGDIEIJG-HFEWCJDKSA-N 0 3 432.524 3.325 50 30 IGEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000009042036 569497731 /nfs/dbraw/zinc/49/77/31/569497731.db2.gz MAMKWZAUMUCZPL-FQEVSTJZSA-N 0 3 436.487 3.230 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009043889 569497916 /nfs/dbraw/zinc/49/79/16/569497916.db2.gz VHACWMXCDBRRNE-JBCNATCCSA-N 0 3 442.512 3.450 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCN(CC)CC)cc1OC ZINC000009043893 569497936 /nfs/dbraw/zinc/49/79/36/569497936.db2.gz VHACWMXCDBRRNE-MRJHHRETSA-N 0 3 442.512 3.450 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009270774 569517675 /nfs/dbraw/zinc/51/76/75/569517675.db2.gz KOBNNPMEKRHQJJ-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OC)cc1 ZINC000009270774 569517676 /nfs/dbraw/zinc/51/76/76/569517676.db2.gz KOBNNPMEKRHQJJ-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccn1 ZINC000102740757 524192273 /nfs/dbraw/zinc/19/22/73/524192273.db2.gz VXTZALAALSTDLS-LFVOPCPISA-N 0 3 429.904 3.117 50 30 IGEAHN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(OC(C)C)cc1 ZINC000013690990 526484005 /nfs/dbraw/zinc/48/40/05/526484005.db2.gz GKCLZLQTUDBWFU-NRFANRHFSA-N 0 3 440.544 3.344 50 30 IGEAHN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000102736746 527219303 /nfs/dbraw/zinc/21/93/03/527219303.db2.gz VLARRMVELHKXLU-WOOAAIBNSA-N 0 3 428.920 3.120 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000008743982 556208452 /nfs/dbraw/zinc/20/84/52/556208452.db2.gz ZOBWJZAZRPBELF-GHNGSUTGSA-N 0 3 430.526 3.139 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)c(OC)c1 ZINC000013719359 556717957 /nfs/dbraw/zinc/71/79/57/556717957.db2.gz XTDRHTFMGWOWEM-LJQANCHMSA-N 0 3 430.526 3.295 50 30 IGEAHN COc1ccc(OC)c([C@@H]2C(C(=O)c3c[nH]c4ccccc43)C(=O)C(=O)N2CCN(C)C)c1 ZINC000013730776 556720543 /nfs/dbraw/zinc/72/05/43/556720543.db2.gz HYPVNBMJFTXPLQ-JOCHJYFZSA-N 0 3 449.507 3.325 50 30 IGEAHN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(Cl)c2)c(C)n1 ZINC000013736582 556722816 /nfs/dbraw/zinc/72/28/16/556722816.db2.gz CFTYOCBAMAPMSD-LJQANCHMSA-N 0 3 428.920 3.277 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102500782 557337953 /nfs/dbraw/zinc/33/79/53/557337953.db2.gz RTAIETSIFUKUBK-IAMBOQNYSA-N 0 3 448.523 3.025 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)c(C)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102529720 557341016 /nfs/dbraw/zinc/34/10/16/557341016.db2.gz JEMPUNZOJLIUGA-MOBKVPTQSA-N 0 3 438.524 3.386 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@@H]1c1cccc(O)c1 ZINC000016731299 568792546 /nfs/dbraw/zinc/79/25/46/568792546.db2.gz HAXZAWWMKMPLMU-NRFANRHFSA-N 0 3 442.487 3.460 50 30 IGEAHN COc1ccccc1N1CCN([C@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)CC1 ZINC000019794485 568855115 /nfs/dbraw/zinc/85/51/15/568855115.db2.gz YAKDAHJNUUCLPI-VWLOTQADSA-N 0 3 433.596 3.216 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000006198502 568877029 /nfs/dbraw/zinc/87/70/29/568877029.db2.gz ZJTSYPKZIITEDS-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020219319 569356867 /nfs/dbraw/zinc/35/68/67/569356867.db2.gz DMJUNCDHMCHQQE-JOCHJYFZSA-N 0 3 436.508 3.296 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(Cl)cc2)cc1OC ZINC000008921600 569486870 /nfs/dbraw/zinc/48/68/70/569486870.db2.gz ZKPWHICTTBWCMQ-YDJIHCHBSA-N 0 3 444.915 3.341 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009008081 569496207 /nfs/dbraw/zinc/49/62/07/569496207.db2.gz SVLXVQBOQRBTFD-NHFXJNLRSA-N 0 3 441.459 3.497 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1cc(OC)ccc1OC ZINC000009042127 569497708 /nfs/dbraw/zinc/49/77/08/569497708.db2.gz KNLSYRXTJNRDJL-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1F ZINC000009178060 569509830 /nfs/dbraw/zinc/50/98/30/569509830.db2.gz GIZNXTNMXJGCHJ-OAQYLSRUSA-N 0 3 436.487 3.312 50 30 IGEAHN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)c1C ZINC000009234712 569513979 /nfs/dbraw/zinc/51/39/79/569513979.db2.gz WIPYDOWXUHKMNA-GOSISDBHSA-N 0 3 445.541 3.010 50 30 IGEAHN Cc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009354182 569525067 /nfs/dbraw/zinc/52/50/67/569525067.db2.gz OAGOEOHMPOPIJV-HOGKFDNTSA-N 0 3 436.508 3.140 50 30 IGEAHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1cccc([N+](=O)[O-])c1 ZINC000012986780 519177581 /nfs/dbraw/zinc/17/75/81/519177581.db2.gz MEQHMZFGQLKXHX-UHFFFAOYSA-N 0 3 430.534 3.132 50 30 IGEAHN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1OC ZINC000013686027 524295731 /nfs/dbraw/zinc/29/57/31/524295731.db2.gz JGTJAQDAYGVUBL-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cc(OC)ccc1OC ZINC000020265008 557004404 /nfs/dbraw/zinc/00/44/04/557004404.db2.gz XSFOEZKXPIVAMS-HXUWFJFHSA-N 0 3 428.485 3.217 50 30 IGEAHN CCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccc(C)cc1)=C(O)C(=O)N2CCCN(C)C ZINC000024147603 557139016 /nfs/dbraw/zinc/13/90/16/557139016.db2.gz WXHPJMAMPTXLMV-AREMUKBSSA-N 0 3 447.535 3.046 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(F)c2)cc1Cl ZINC000102521072 557352575 /nfs/dbraw/zinc/35/25/75/557352575.db2.gz JJMQJRVZTFUNFU-LFVOPCPISA-N 0 3 432.879 3.471 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(F)cc1 ZINC000102615424 557359102 /nfs/dbraw/zinc/35/91/02/557359102.db2.gz DPAZGJWKKPHCGO-NHFXJNLRSA-N 0 3 441.459 3.497 50 30 IGEAHN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000102704515 557366098 /nfs/dbraw/zinc/36/60/98/557366098.db2.gz YMPUGCWPPGLAPS-NHFXJNLRSA-N 0 3 442.899 3.095 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102735365 557372795 /nfs/dbraw/zinc/37/27/95/557372795.db2.gz IDPFOLOQFAFFJT-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccnc1 ZINC000102741164 557375890 /nfs/dbraw/zinc/37/58/90/557375890.db2.gz LRFYMRUAJBHPPZ-WOOAAIBNSA-N 0 3 429.904 3.117 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(F)c2)cc1F ZINC000102737797 557379880 /nfs/dbraw/zinc/37/98/80/557379880.db2.gz LFVXYMYSOHGDNK-NHFXJNLRSA-N 0 3 430.451 3.347 50 30 IGEAHN COc1ccccc1[C@H]1C(C(=O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1CCN(C)C ZINC000102895224 557406092 /nfs/dbraw/zinc/40/60/92/557406092.db2.gz PWVRJEPXXBORRF-MOBKVPTQSA-N 0 3 438.524 3.466 50 30 IGEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000102881711 557408018 /nfs/dbraw/zinc/40/80/18/557408018.db2.gz ROSDCYMUUHATRS-HVESIFNPSA-N 0 3 444.513 3.042 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009232835 569513769 /nfs/dbraw/zinc/51/37/69/569513769.db2.gz TZUGSPJKCJRAOQ-SFHVURJKSA-N 0 3 429.542 3.299 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009271471 569517730 /nfs/dbraw/zinc/51/77/30/569517730.db2.gz CONVWQSSKMETBQ-GOSISDBHSA-N 0 3 429.542 3.299 50 30 IGEAHN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000009312532 569521884 /nfs/dbraw/zinc/52/18/84/569521884.db2.gz DFWZAZBAQUKKKJ-IVZQSRNASA-N 0 3 436.508 3.246 50 30 IGEAHN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009333714 569523085 /nfs/dbraw/zinc/52/30/85/569523085.db2.gz IXMVVMPFGGMFAX-FQEVSTJZSA-N 0 3 428.485 3.135 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102749589 525382980 /nfs/dbraw/zinc/38/29/80/525382980.db2.gz ZWUUOOVHAJHLDP-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)cnn1-c1ccccc1 ZINC000102497303 525512234 /nfs/dbraw/zinc/51/22/34/525512234.db2.gz UETIOOKAHUOJLE-JBCNATCCSA-N 0 3 434.496 3.147 50 30 IGEAHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1cccc2nsnc21 ZINC000032777090 556327970 /nfs/dbraw/zinc/32/79/70/556327970.db2.gz KDGVJXCVDDPJEJ-UHFFFAOYSA-N 0 3 443.602 3.228 50 30 IGEAHN O=[N+]([O-])N=C1NCN(c2ccc(Cl)cc2)CN1C1CCN(Cc2ccccc2)CC1 ZINC000004398297 556416223 /nfs/dbraw/zinc/41/62/23/556416223.db2.gz OTFQOYGVKHDNFV-UHFFFAOYSA-N 0 3 428.924 3.179 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1cccnc1 ZINC000016734261 556632866 /nfs/dbraw/zinc/63/28/66/556632866.db2.gz LRKSMHYUOZZCLS-NRFANRHFSA-N 0 3 439.512 3.019 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)c(OC)c1 ZINC000013732870 556720808 /nfs/dbraw/zinc/72/08/08/556720808.db2.gz SMSMYZNLZCPXRY-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000013732777 556720900 /nfs/dbraw/zinc/72/09/00/556720900.db2.gz COBNZBSSLCZRCM-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2OC)cc1F ZINC000013735504 556721933 /nfs/dbraw/zinc/72/19/33/556721933.db2.gz PGONONZMEPKDRP-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN C[C@]12CCC[C@]3(CO3)[C@@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(c2ccc(F)cc2)CC1 ZINC000061992843 556767063 /nfs/dbraw/zinc/76/70/63/556767063.db2.gz FIUCPZNGVDJLBY-IRXCLELFSA-N 0 3 428.548 3.475 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cc1Cl ZINC000020229450 557001717 /nfs/dbraw/zinc/00/17/17/557001717.db2.gz AYERXZRHQZHNGE-IBGZPJMESA-N 0 3 429.904 3.274 50 30 IGEAHN COc1ccc(OC)c(-c2csc(C3=C(N)N(CC[C@@H]4CCCN4C)[C@@H](C)C3=O)n2)c1 ZINC000101319790 557273103 /nfs/dbraw/zinc/27/31/03/557273103.db2.gz AHTWJWHMEYZGSU-GJZGRUSLSA-N 0 3 442.585 3.212 50 30 IGEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000102508022 557330549 /nfs/dbraw/zinc/33/05/49/557330549.db2.gz ACRPLEYOAMINFS-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102735367 557372853 /nfs/dbraw/zinc/37/28/53/557372853.db2.gz IDPFOLOQFAFFJT-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1OC ZINC000102752958 557383422 /nfs/dbraw/zinc/38/34/22/557383422.db2.gz BQXMIUYNUVAOEM-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c(OC)c1 ZINC000102926839 557410354 /nfs/dbraw/zinc/41/03/54/557410354.db2.gz NMKGYWFBAAPMQE-LFVOPCPISA-N 0 3 430.526 3.139 50 30 IGEAHN C=C(C)[C@@H]1CC=C(CN2CCc3nnc(CNC(=O)CCc4cccnc4)n3CC2)CC1 ZINC000011913551 568821103 /nfs/dbraw/zinc/82/11/03/568821103.db2.gz JECUGBAILXDTPT-JOCHJYFZSA-N 0 3 434.588 3.083 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)cc1Cl ZINC000020228260 569356959 /nfs/dbraw/zinc/35/69/59/569356959.db2.gz UIHJWQKAXABDOV-FQEVSTJZSA-N 0 3 444.915 3.497 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000020264886 569358422 /nfs/dbraw/zinc/35/84/22/569358422.db2.gz HGUIOGBRHMPPED-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009015294 569496691 /nfs/dbraw/zinc/49/66/91/569496691.db2.gz BOLUAHJTTSXMQB-QRQCRPRQSA-N 0 3 436.508 3.159 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009045280 569498039 /nfs/dbraw/zinc/49/80/39/569498039.db2.gz FUGYWBNWUWFTEJ-YDJIHCHBSA-N 0 3 444.915 3.341 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)cc1OC ZINC000009046069 569498277 /nfs/dbraw/zinc/49/82/77/569498277.db2.gz ONNHNDMXRCJAMA-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009070886 569500108 /nfs/dbraw/zinc/50/01/08/569500108.db2.gz QQBOBELTNZZFKW-QFIPXVFZSA-N 0 3 448.523 3.181 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)cc1OC ZINC000020233017 523551506 /nfs/dbraw/zinc/55/15/06/523551506.db2.gz PTTUVMQGZCTRRS-LJQANCHMSA-N 0 3 430.526 3.295 50 30 IGEAHN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1OC ZINC000102752959 524295084 /nfs/dbraw/zinc/29/50/84/524295084.db2.gz BQXMIUYNUVAOEM-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccn2)cnn1-c1ccccc1 ZINC000013124744 525553423 /nfs/dbraw/zinc/55/34/23/525553423.db2.gz ZZVMUXYRIOEFRD-JOCHJYFZSA-N 0 3 445.523 3.106 50 30 IGEAHN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000013689593 527222447 /nfs/dbraw/zinc/22/24/47/527222447.db2.gz SMVFXPAAXRTNQQ-IBGZPJMESA-N 0 3 428.920 3.277 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccn1 ZINC000013729820 556721366 /nfs/dbraw/zinc/72/13/66/556721366.db2.gz XYKHHJSYOUKHHX-IBGZPJMESA-N 0 3 429.904 3.274 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019884345 556938286 /nfs/dbraw/zinc/93/82/86/556938286.db2.gz KURHPFKILFCNIB-LJQANCHMSA-N 0 3 427.432 3.264 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000019928163 556946116 /nfs/dbraw/zinc/94/61/16/556946116.db2.gz UQHUGQFAVSAUHJ-QFIPXVFZSA-N 0 3 437.540 3.291 50 30 IGEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)cc1 ZINC000020171997 556994850 /nfs/dbraw/zinc/99/48/50/556994850.db2.gz FMLPWXCSWWZWFI-QFIPXVFZSA-N 0 3 436.508 3.400 50 30 IGEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccncc3)oc21 ZINC000020219433 556999615 /nfs/dbraw/zinc/99/96/15/556999615.db2.gz VKRBQYHXPAWTDA-FQEVSTJZSA-N 0 3 435.480 3.366 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(OC)c1OC ZINC000020219604 556999944 /nfs/dbraw/zinc/99/99/44/556999944.db2.gz RDVFABVUJKOGPQ-FQEVSTJZSA-N 0 3 439.512 3.019 50 30 IGEAHN CCCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000102508015 557330300 /nfs/dbraw/zinc/33/03/00/557330300.db2.gz ACRPLEYOAMINFS-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(F)cc2)cc1Cl ZINC000102541853 557348421 /nfs/dbraw/zinc/34/84/21/557348421.db2.gz GLYIHIGMVUINKA-WOOAAIBNSA-N 0 3 432.879 3.471 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2OC)cc1C ZINC000102691882 557364329 /nfs/dbraw/zinc/36/43/29/557364329.db2.gz NXLCKPUIZVEMAJ-MOBKVPTQSA-N 0 3 438.524 3.386 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2OC)cc1F ZINC000102736098 557373248 /nfs/dbraw/zinc/37/32/48/557373248.db2.gz WGSADLURFBGHAB-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000102715663 557374990 /nfs/dbraw/zinc/37/49/90/557374990.db2.gz BSWQAWGPIBCPPP-JBCNATCCSA-N 0 3 438.524 3.386 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccncc1 ZINC000102749108 557379219 /nfs/dbraw/zinc/37/92/19/557379219.db2.gz YWGYWQQWNDAYTC-LFVOPCPISA-N 0 3 429.904 3.117 50 30 IGEAHN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(Cl)c1 ZINC000102737682 557379947 /nfs/dbraw/zinc/37/99/47/557379947.db2.gz LPKSOHBYQSWQKJ-WOOAAIBNSA-N 0 3 430.936 3.064 50 30 IGEAHN COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCCN(C)C ZINC000102875844 557397273 /nfs/dbraw/zinc/39/72/73/557397273.db2.gz XWDXMAKGTDMBDS-GHNGSUTGSA-N 0 3 429.542 3.142 50 30 IGEAHN CCCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102857486 557398864 /nfs/dbraw/zinc/39/88/64/557398864.db2.gz KVDDOKMYZXKOJF-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN CCCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000102857490 557398891 /nfs/dbraw/zinc/39/88/91/557398891.db2.gz KVDDOKMYZXKOJF-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(F)c2)[C@H]1c1cccc(O)c1 ZINC000016731302 568792514 /nfs/dbraw/zinc/79/25/14/568792514.db2.gz HAXZAWWMKMPLMU-OAQYLSRUSA-N 0 3 442.487 3.460 50 30 IGEAHN COc1ccccc1N1CCN([C@@H]2CCCN(Cc3ccc(C#CCCO)cc3)C2)CC1 ZINC000019794484 568855186 /nfs/dbraw/zinc/85/51/86/568855186.db2.gz YAKDAHJNUUCLPI-RUZDIDTESA-N 0 3 433.596 3.216 50 30 IGEAHN CCOC(=O)c1cc(C(=O)OCC)c(N=NC2CC[NH+](Cc3ccccc3)CC2)[n-]c1=O ZINC000008781933 569475734 /nfs/dbraw/zinc/47/57/34/569475734.db2.gz SNQHPWSPDRVJJA-UHFFFAOYSA-N 0 3 440.500 3.205 50 30 IGEAHN COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000008905508 569484617 /nfs/dbraw/zinc/48/46/17/569484617.db2.gz KCUAIRMORGPZOA-WOOAAIBNSA-N 0 3 430.526 3.139 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000008996902 523369614 /nfs/dbraw/zinc/36/96/14/523369614.db2.gz NNMPZYSEJPKTOD-HOGKFDNTSA-N 0 3 437.540 3.135 50 30 IGEAHN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1 ZINC000008740610 556206160 /nfs/dbraw/zinc/20/61/60/556206160.db2.gz YMPUGCWPPGLAPS-YDJIHCHBSA-N 0 3 442.899 3.095 50 30 IGEAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000061996980 556767026 /nfs/dbraw/zinc/76/70/26/556767026.db2.gz GLDVVYYHWZCHSJ-YZASHPNZSA-N 0 3 428.548 3.473 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000019882655 556937622 /nfs/dbraw/zinc/93/76/22/556937622.db2.gz SVCUIUOWNGGEDL-LJQANCHMSA-N 0 3 427.432 3.264 50 30 IGEAHN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(Cl)c1 ZINC000019897772 556940989 /nfs/dbraw/zinc/94/09/89/556940989.db2.gz NGLYRQGVSHDDGJ-HXUWFJFHSA-N 0 3 442.899 3.251 50 30 IGEAHN COc1ccc(OC)c([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020136242 556988396 /nfs/dbraw/zinc/98/83/96/556988396.db2.gz FWKHSAQVQNTSCY-IBGZPJMESA-N 0 3 430.526 3.295 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccs1 ZINC000020219343 556999543 /nfs/dbraw/zinc/99/95/43/556999543.db2.gz FFYMKLIKDJYANL-IBGZPJMESA-N 0 3 428.510 3.049 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020264220 557004385 /nfs/dbraw/zinc/00/43/85/557004385.db2.gz GLLDUDUWIKMEJX-FQEVSTJZSA-N 0 3 428.485 3.217 50 30 IGEAHN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000102737684 557379802 /nfs/dbraw/zinc/37/98/02/557379802.db2.gz LPKSOHBYQSWQKJ-LFVOPCPISA-N 0 3 430.936 3.064 50 30 IGEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000102858709 557399455 /nfs/dbraw/zinc/39/94/55/557399455.db2.gz OTCSUPWDNDNPSN-MOBKVPTQSA-N 0 3 438.524 3.473 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@@H]1c1ccc(O)cc1 ZINC000102858709 557399457 /nfs/dbraw/zinc/39/94/57/557399457.db2.gz OTCSUPWDNDNPSN-MOBKVPTQSA-N 0 3 438.524 3.473 50 30 IGEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1Cl ZINC000102883077 557408696 /nfs/dbraw/zinc/40/86/96/557408696.db2.gz XFKUCJKQHGMNHB-WOOAAIBNSA-N 0 3 429.904 3.117 50 30 IGEAHN CCN1CCN(C(=S)Nc2ccc3nc(N4CCN(CC)CC4)cc(C)c3c2)CC1 ZINC000008682872 562961751 /nfs/dbraw/zinc/96/17/51/562961751.db2.gz FGXORRWTASCLIV-UHFFFAOYSA-N 0 3 426.634 3.240 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(F)c2)cc1Cl ZINC000008919063 569486412 /nfs/dbraw/zinc/48/64/12/569486412.db2.gz JJMQJRVZTFUNFU-WOOAAIBNSA-N 0 3 432.879 3.471 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009015297 569496674 /nfs/dbraw/zinc/49/66/74/569496674.db2.gz BOLUAHJTTSXMQB-OYHNWAKOSA-N 0 3 436.508 3.159 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(Br)cc1 ZINC000009236272 569514127 /nfs/dbraw/zinc/51/41/27/569514127.db2.gz AKFSWZYZKVQPLR-SELCWUDQSA-N 0 3 444.329 3.218 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cc1Cl ZINC000009273376 569518094 /nfs/dbraw/zinc/51/80/94/569518094.db2.gz NDUAKGBXIMPKCI-WOOAAIBNSA-N 0 3 429.904 3.117 50 30 IGEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1 ZINC000009301882 569520759 /nfs/dbraw/zinc/52/07/59/569520759.db2.gz WUKGXAQTFWADFN-QGZVFWFLSA-N 0 3 444.513 3.198 50 30 IGEAHN C=CCOc1ccccc1CN1CCC([C@@]2(Cc3ccccc3F)NC(=O)NC2=O)CC1 ZINC000012160837 519070418 /nfs/dbraw/zinc/07/04/18/519070418.db2.gz VLPIKHUCJMVGEJ-RUZDIDTESA-N 0 3 437.515 3.423 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccs1 ZINC000016741542 556635403 /nfs/dbraw/zinc/63/54/03/556635403.db2.gz MCKSJNKOYSIDFR-HXUWFJFHSA-N 0 3 442.537 3.439 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)O[C@H](C)C3)[C@H]1c1ccncc1 ZINC000019861502 556933738 /nfs/dbraw/zinc/93/37/38/556933738.db2.gz DYXWJCDPHQPLEQ-OPAMFIHVSA-N 0 3 435.524 3.325 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000019927966 556946163 /nfs/dbraw/zinc/94/61/63/556946163.db2.gz NZNHBZWRPQRDJM-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1F ZINC000020219314 556999596 /nfs/dbraw/zinc/99/95/96/556999596.db2.gz IEGAXJLXQHDSFR-NRFANRHFSA-N 0 3 440.471 3.127 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cc(OC)ccc1OC ZINC000020265005 557004281 /nfs/dbraw/zinc/00/42/81/557004281.db2.gz XSFOEZKXPIVAMS-FQEVSTJZSA-N 0 3 428.485 3.217 50 30 IGEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@H]1c1cccnc1 ZINC000102169274 557313757 /nfs/dbraw/zinc/31/37/57/557313757.db2.gz YFRSFMGQKCGBTK-MOBKVPTQSA-N 0 3 437.540 3.408 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102749587 557379239 /nfs/dbraw/zinc/37/92/39/557379239.db2.gz ZWUUOOVHAJHLDP-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(F)c2)cc1F ZINC000102737795 557379942 /nfs/dbraw/zinc/37/99/42/557379942.db2.gz LFVXYMYSOHGDNK-YDJIHCHBSA-N 0 3 430.451 3.347 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)c(OC)c1 ZINC000102739062 557380184 /nfs/dbraw/zinc/38/01/84/557380184.db2.gz YFCIIWIXMDBEEJ-LFVOPCPISA-N 0 3 430.526 3.139 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102875176 557396816 /nfs/dbraw/zinc/39/68/16/557396816.db2.gz DATCASNBGRYLHJ-SELCWUDQSA-N 0 3 429.542 3.142 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(C)o1 ZINC000102884754 557409100 /nfs/dbraw/zinc/40/91/00/557409100.db2.gz DZHLIGAWRMRJFY-JBCNATCCSA-N 0 3 440.496 3.123 50 30 IGEAHN C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@@H]1CCCCN12 ZINC000015021618 568828054 /nfs/dbraw/zinc/82/80/54/568828054.db2.gz JNHADTJUPUDAGI-MSZDEVHKSA-N 0 3 427.504 3.088 50 30 IGEAHN COc1ccc(OC)c(-c2csc(C3=C(N)N(CC[C@H]4CCCN4C)[C@H](C)C3=O)n2)c1 ZINC000253388915 569264257 /nfs/dbraw/zinc/26/42/57/569264257.db2.gz AHTWJWHMEYZGSU-HUUCEWRRSA-N 0 3 442.585 3.212 50 30 IGEAHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000040108351 569488590 /nfs/dbraw/zinc/48/85/90/569488590.db2.gz VKRZKFBKWQCIAF-QFIPXVFZSA-N 0 3 436.531 3.140 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(C)cc2)cc1OC ZINC000009070662 569500084 /nfs/dbraw/zinc/50/00/84/569500084.db2.gz YXWSFNSXJULJRD-HOGKFDNTSA-N 0 3 438.524 3.386 50 30 IGEAHN COc1ccc2c(c1)[nH]c1c2ncn(/N=C/c2ccc(OC)c(CN3CCCC3)c2)c1=O ZINC000009087091 569500785 /nfs/dbraw/zinc/50/07/85/569500785.db2.gz RYJRGSLJJCYMIZ-LGJNPRDNSA-N 0 3 431.496 3.373 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1F ZINC000009178054 569509802 /nfs/dbraw/zinc/50/98/02/569509802.db2.gz GIZNXTNMXJGCHJ-NRFANRHFSA-N 0 3 436.487 3.312 50 30 IGEAHN CCOc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC)CC1 ZINC000004082746 132269548 /nfs/dbraw/zinc/26/95/48/132269548.db2.gz HFXCPHGCEJCQFE-KRWDZBQOSA-N 0 3 431.496 3.135 50 30 IGEAHN C#CCOC[C@@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036313028 518297643 /nfs/dbraw/zinc/29/76/43/518297643.db2.gz WZULRBCIXDOZRJ-QFIPXVFZSA-N 0 3 441.572 3.181 50 30 IGEAHN C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000022275827 519042803 /nfs/dbraw/zinc/04/28/03/519042803.db2.gz VGKCNJSBKSMGIE-JOCHJYFZSA-N 0 3 436.508 3.400 50 30 IGEAHN CC(C)[C@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)N(C)CCC#N)N(C)C ZINC000048333509 519815103 /nfs/dbraw/zinc/81/51/03/519815103.db2.gz DMMYAJYBZZRCFL-SFHVURJKSA-N 0 3 435.421 3.472 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000008743678 556208100 /nfs/dbraw/zinc/20/81/00/556208100.db2.gz SMLARPAUGADJCB-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000017888549 556680246 /nfs/dbraw/zinc/68/02/46/556680246.db2.gz JKMKVHJUGQLWCP-FQEVSTJZSA-N 0 3 444.915 3.497 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccs1 ZINC000020219344 556999566 /nfs/dbraw/zinc/99/95/66/556999566.db2.gz FFYMKLIKDJYANL-LJQANCHMSA-N 0 3 428.510 3.049 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(F)c1 ZINC000020229307 557001734 /nfs/dbraw/zinc/00/17/34/557001734.db2.gz USRQWQABRRJWSW-NRFANRHFSA-N 0 3 440.471 3.127 50 30 IGEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccs1 ZINC000102516988 557350702 /nfs/dbraw/zinc/35/07/02/557350702.db2.gz QWMFWRGUUXELAV-WENBPLFZSA-N 0 3 438.553 3.386 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000102749686 557379125 /nfs/dbraw/zinc/37/91/25/557379125.db2.gz QUXGLZYSGFDMGB-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN C=CCN(C(=O)CSc1nc(O)cn1C(C)=O)c1nc(C)c(-c2ccccc2)s1 ZINC000003310815 562934061 /nfs/dbraw/zinc/93/40/61/562934061.db2.gz RIRFWBYBUNDBHY-UHFFFAOYSA-N 0 3 428.539 3.115 50 30 IGEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3ccncc3)oc21 ZINC000008817858 569476934 /nfs/dbraw/zinc/47/69/34/569476934.db2.gz WULZDBUHNMLIEU-NHFXJNLRSA-N 0 3 435.480 3.210 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(C)cc1 ZINC000008836673 569478097 /nfs/dbraw/zinc/47/80/97/569478097.db2.gz ISQGXMBGDIEIJG-IAMBOQNYSA-N 0 3 432.524 3.325 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(Br)cc1 ZINC000009236278 569514162 /nfs/dbraw/zinc/51/41/62/569514162.db2.gz AKFSWZYZKVQPLR-GHNGSUTGSA-N 0 3 444.329 3.218 50 30 IGEAHN COc1ccc(F)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1OC ZINC000013686023 524297338 /nfs/dbraw/zinc/29/73/38/524297338.db2.gz JGTJAQDAYGVUBL-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cnn1-c1ccccc1 ZINC000004042224 555955127 /nfs/dbraw/zinc/95/51/27/555955127.db2.gz YSJSVQQTJGSLKZ-JOCHJYFZSA-N 0 3 445.523 3.106 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000016741545 556635365 /nfs/dbraw/zinc/63/53/65/556635365.db2.gz WCFVUXQCQCRVMD-QFIPXVFZSA-N 0 3 436.508 3.378 50 30 IGEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccccc1 ZINC000016741545 556635368 /nfs/dbraw/zinc/63/53/68/556635368.db2.gz WCFVUXQCQCRVMD-QFIPXVFZSA-N 0 3 436.508 3.378 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccs1 ZINC000016741541 556635411 /nfs/dbraw/zinc/63/54/11/556635411.db2.gz MCKSJNKOYSIDFR-FQEVSTJZSA-N 0 3 442.537 3.439 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1 ZINC000019882653 556937652 /nfs/dbraw/zinc/93/76/52/556937652.db2.gz SVCUIUOWNGGEDL-IBGZPJMESA-N 0 3 427.432 3.264 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000019884343 556938312 /nfs/dbraw/zinc/93/83/12/556938312.db2.gz KURHPFKILFCNIB-IBGZPJMESA-N 0 3 427.432 3.264 50 30 IGEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1cccnc1 ZINC000102169277 557313945 /nfs/dbraw/zinc/31/39/45/557313945.db2.gz YFRSFMGQKCGBTK-HOGKFDNTSA-N 0 3 437.540 3.408 50 30 IGEAHN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102519578 557351077 /nfs/dbraw/zinc/35/10/77/557351077.db2.gz NTRPKEYPKMGWGV-MOBKVPTQSA-N 0 3 438.524 3.386 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000102524785 557353093 /nfs/dbraw/zinc/35/30/93/557353093.db2.gz HSFRLIBWHLLFOZ-PGVNHDJNSA-N 0 3 436.487 3.155 50 30 IGEAHN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102645927 557363982 /nfs/dbraw/zinc/36/39/82/557363982.db2.gz XMFMLDHMIUKMHT-IUOUCKIRSA-N 0 3 436.508 3.089 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102751933 557383073 /nfs/dbraw/zinc/38/30/73/557383073.db2.gz CYRWZWNCTFNACN-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1cccc(F)c1F)C2 ZINC000014537733 568826314 /nfs/dbraw/zinc/82/63/14/568826314.db2.gz YEAARDMTUUJMGM-INIZCTEOSA-N 0 3 432.540 3.183 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](N(C)Cc1cccc(OC)c1)C2 ZINC000014536768 568826392 /nfs/dbraw/zinc/82/63/92/568826392.db2.gz OAPYNCHIOZHRIK-IBGZPJMESA-N 0 3 440.613 3.256 50 30 IGEAHN C[C@H]1CCC[C@]2(C)C[C@H]3OC(=O)[C@@H](CN4CCN(c5ccc(F)cc5)CC4)[C@H]3[C@@H]3O[C@]312 ZINC000059410341 569461187 /nfs/dbraw/zinc/46/11/87/569461187.db2.gz GLDVVYYHWZCHSJ-XHWGUPKXSA-N 0 3 428.548 3.473 50 30 IGEAHN CCN1CCN(CC(=O)C(C#N)c2nc(-c3ccc(Br)cc3)cs2)CC1 ZINC000022035837 521676732 /nfs/dbraw/zinc/67/67/32/521676732.db2.gz VHZYPYZXZFMUEC-INIZCTEOSA-N 0 3 433.375 3.386 50 30 IGEAHN CN(C)CCNc1oc(-c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)nc1C#N ZINC000012421325 521792612 /nfs/dbraw/zinc/79/26/12/521792612.db2.gz OIXOBEYHEGEQFY-UHFFFAOYSA-N 0 3 439.541 3.007 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c(OC)c1 ZINC000012619348 525392342 /nfs/dbraw/zinc/39/23/42/525392342.db2.gz PVPXCXFPNOKGRN-IBGZPJMESA-N 0 3 430.526 3.295 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1cccnc1 ZINC000016734264 556632873 /nfs/dbraw/zinc/63/28/73/556632873.db2.gz LRKSMHYUOZZCLS-OAQYLSRUSA-N 0 3 439.512 3.019 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000013728527 556721270 /nfs/dbraw/zinc/72/12/70/556721270.db2.gz VHVWSMHYMHLDAJ-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000101313510 557272075 /nfs/dbraw/zinc/27/20/75/557272075.db2.gz RGJMVOIOSLTJAC-HOGKFDNTSA-N 0 3 436.508 3.243 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)c(OC)c1 ZINC000102746504 557378506 /nfs/dbraw/zinc/37/85/06/557378506.db2.gz AWIRZBYWBJHNGP-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@H](NCc1ccc(F)cc1F)C2 ZINC000014732040 568826954 /nfs/dbraw/zinc/82/69/54/568826954.db2.gz LUWJZWGBWMXSAZ-KRWDZBQOSA-N 0 3 432.540 3.183 50 30 IGEAHN C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@@H]1CCCCN12 ZINC000248158009 568919116 /nfs/dbraw/zinc/91/91/16/568919116.db2.gz JNHADTJUPUDAGI-YGWSKSRPSA-N 0 3 427.504 3.088 50 30 IGEAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@@H]5C[C@H]34)CC2)c1 ZINC000059409340 569461241 /nfs/dbraw/zinc/46/12/41/569461241.db2.gz SGDNDBSJHXDOKR-MOHLLJBMSA-N 0 3 440.584 3.344 50 30 IGEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000008985738 569494809 /nfs/dbraw/zinc/49/48/09/569494809.db2.gz TWSLEUPJDUCVJU-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000009007587 569496197 /nfs/dbraw/zinc/49/61/97/569496197.db2.gz GMFJXSYGWZIQSD-MOBKVPTQSA-N 0 3 436.508 3.243 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009070888 569500121 /nfs/dbraw/zinc/50/01/21/569500121.db2.gz QQBOBELTNZZFKW-JOCHJYFZSA-N 0 3 448.523 3.181 50 30 IGEAHN CN(C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C#N)CC(C)(C)NC3(C)C)cc1 ZINC000009391512 569528913 /nfs/dbraw/zinc/52/89/13/569528913.db2.gz MLQYIADSNWAROB-UHFFFAOYSA-N 0 3 446.598 3.282 50 30 IGEAHN C=C(C)[C@@H]1CC=C(CN2CCc3nnc(CNC(=O)c4ccccc4OC)n3CC2)CC1 ZINC000012206327 518645053 /nfs/dbraw/zinc/64/50/53/518645053.db2.gz BEKMOFRJZKYWPS-HXUWFJFHSA-N 0 3 435.572 3.377 50 30 IGEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000101313512 519059560 /nfs/dbraw/zinc/05/95/60/519059560.db2.gz RGJMVOIOSLTJAC-MOBKVPTQSA-N 0 3 436.508 3.243 50 30 IGEAHN C=CCn1c(CCN2CCCCC2)nnc1SCC(=O)Nc1ccc(C(C)=O)cc1 ZINC000032777028 519175521 /nfs/dbraw/zinc/17/55/21/519175521.db2.gz ACFHPMBRCZMXRD-UHFFFAOYSA-N 0 3 427.574 3.426 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000019885736 523551925 /nfs/dbraw/zinc/55/19/25/523551925.db2.gz QUYRCUBSVLJZGJ-HXUWFJFHSA-N 0 3 439.468 3.133 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000019898803 556941163 /nfs/dbraw/zinc/94/11/63/556941163.db2.gz JKMKVHJUGQLWCP-HXUWFJFHSA-N 0 3 444.915 3.497 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(F)cc1 ZINC000020219324 556999520 /nfs/dbraw/zinc/99/95/20/556999520.db2.gz DFSUOSHOIASEFK-NRFANRHFSA-N 0 3 440.471 3.127 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cccc(Br)c1 ZINC000101100268 557255220 /nfs/dbraw/zinc/25/52/20/557255220.db2.gz LLABHFSLBXSDNV-GHNGSUTGSA-N 0 3 444.329 3.218 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102493417 557335561 /nfs/dbraw/zinc/33/55/61/557335561.db2.gz QNDUPSPDPQBLPQ-YDJIHCHBSA-N 0 3 444.915 3.341 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102500910 557338221 /nfs/dbraw/zinc/33/82/21/557338221.db2.gz NFDNMZIQTIRFPY-GHNGSUTGSA-N 0 3 429.542 3.142 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2OC)c(C)c1 ZINC000102925873 557409999 /nfs/dbraw/zinc/40/99/99/557409999.db2.gz JWXFYVXOBKFIJH-MOBKVPTQSA-N 0 3 438.524 3.386 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000008919098 562966101 /nfs/dbraw/zinc/96/61/01/562966101.db2.gz NNPOMADWLQPBJQ-NRFANRHFSA-N 0 3 436.487 3.312 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(F)cc1 ZINC000008919098 562966103 /nfs/dbraw/zinc/96/61/03/562966103.db2.gz NNPOMADWLQPBJQ-NRFANRHFSA-N 0 3 436.487 3.312 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N(C)Cc1cccc(OC)c1)C2 ZINC000014536767 568826364 /nfs/dbraw/zinc/82/63/64/568826364.db2.gz OAPYNCHIOZHRIK-LJQANCHMSA-N 0 3 440.613 3.256 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1ccc(Br)cc1 ZINC000020219572 569356839 /nfs/dbraw/zinc/35/68/39/569356839.db2.gz SDKGNKZDPIOIML-SFHVURJKSA-N 0 3 444.329 3.374 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000009045284 569498077 /nfs/dbraw/zinc/49/80/77/569498077.db2.gz FUGYWBNWUWFTEJ-NHFXJNLRSA-N 0 3 444.915 3.341 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccccc2OC)cc1Cl ZINC000009175101 569509725 /nfs/dbraw/zinc/50/97/25/569509725.db2.gz WKDOEXFDRNECOM-NHFXJNLRSA-N 0 3 444.915 3.341 50 30 IGEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000009232442 569513762 /nfs/dbraw/zinc/51/37/62/569513762.db2.gz MFFBUNHCPRWXBF-QGZVFWFLSA-N 0 3 444.513 3.198 50 30 IGEAHN COc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCCN(C)C ZINC000009301995 569520751 /nfs/dbraw/zinc/52/07/51/569520751.db2.gz FGWFMMHCYYREKC-GOSISDBHSA-N 0 3 429.542 3.299 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000009333955 569523260 /nfs/dbraw/zinc/52/32/60/569523260.db2.gz BZDMHZFMRRSMKJ-LFVOPCPISA-N 0 3 427.432 3.107 50 30 IGEAHN C=C(Cl)Cn1c2cc(OC)c(OC)cc2cc(CNCCn2nc(C)cc2C)c1=O ZINC000012332877 518653131 /nfs/dbraw/zinc/65/31/31/518653131.db2.gz GRKPQXMFGULUNW-UHFFFAOYSA-N 0 3 430.936 3.374 50 30 IGEAHN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccc(Cl)cc1 ZINC000012759004 521756322 /nfs/dbraw/zinc/75/63/22/521756322.db2.gz YLSJBVUFVTXELV-HXUWFJFHSA-N 0 3 442.899 3.251 50 30 IGEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccn2)cnn1-c1ccccc1 ZINC000013124743 525553222 /nfs/dbraw/zinc/55/32/22/525553222.db2.gz ZZVMUXYRIOEFRD-QFIPXVFZSA-N 0 3 445.523 3.106 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(C)cc1 ZINC000019861563 556933851 /nfs/dbraw/zinc/93/38/51/556933851.db2.gz UJDRHTMJZZCKID-QFIPXVFZSA-N 0 3 432.524 3.481 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1cccc(F)c1 ZINC000019880103 556936880 /nfs/dbraw/zinc/93/68/80/556936880.db2.gz JQUJHOPFVZNYLF-OAQYLSRUSA-N 0 3 440.471 3.475 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102751934 557383206 /nfs/dbraw/zinc/38/32/06/557383206.db2.gz CYRWZWNCTFNACN-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1Cl ZINC000102872971 557395785 /nfs/dbraw/zinc/39/57/85/557395785.db2.gz NOEBEBIINRGRPE-WOOAAIBNSA-N 0 3 429.904 3.117 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)cc1OC ZINC000102859084 557399405 /nfs/dbraw/zinc/39/94/05/557399405.db2.gz RFRUMBVBRWRKPR-WOOAAIBNSA-N 0 3 430.526 3.139 50 30 IGEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102858988 557399446 /nfs/dbraw/zinc/39/94/46/557399446.db2.gz FDCNCQSJGZCGHF-HVESIFNPSA-N 0 3 444.513 3.042 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102890914 557405520 /nfs/dbraw/zinc/40/55/20/557405520.db2.gz NOIHRFZSKCIVKX-IXBTYZTBSA-N 0 3 436.508 3.002 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000008919104 562966057 /nfs/dbraw/zinc/96/60/57/562966057.db2.gz NNPOMADWLQPBJQ-OAQYLSRUSA-N 0 3 436.487 3.312 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000008919104 562966058 /nfs/dbraw/zinc/96/60/58/562966058.db2.gz NNPOMADWLQPBJQ-OAQYLSRUSA-N 0 3 436.487 3.312 50 30 IGEAHN COc1cc2c(cc1OC)CN([C@H]1CCCN(Cc3ccc(C#CCCO)cc3)C1)CC2 ZINC000019835828 568855410 /nfs/dbraw/zinc/85/54/10/568855410.db2.gz WULGEOYJGDRREZ-VWLOTQADSA-N 0 3 434.580 3.460 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@@H]1c1cc(OC)ccc1OC ZINC000020219606 569356860 /nfs/dbraw/zinc/35/68/60/569356860.db2.gz PXQLIOFLMVATQX-NRFANRHFSA-N 0 3 439.512 3.019 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000008694882 569470162 /nfs/dbraw/zinc/47/01/62/569470162.db2.gz MYADFBJIQKYURA-RKKARLDVSA-N 0 3 438.524 3.467 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000008838338 569478346 /nfs/dbraw/zinc/47/83/46/569478346.db2.gz GYQRRJBGRWRQBH-MRJHHRETSA-N 0 3 442.512 3.450 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cc(OC)ccc1OC ZINC000009271652 569517835 /nfs/dbraw/zinc/51/78/35/569517835.db2.gz YSBRVJOOXLAAAE-YDJIHCHBSA-N 0 3 428.485 3.060 50 30 IGEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccnc3)oc21 ZINC000009275740 569518418 /nfs/dbraw/zinc/51/84/18/569518418.db2.gz OWSRAMOFTZJPGC-YDJIHCHBSA-N 0 3 435.480 3.210 50 30 IGEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccncc2)cc1 ZINC000009360881 569525768 /nfs/dbraw/zinc/52/57/68/569525768.db2.gz VRCUXWVDTMISMK-HOGKFDNTSA-N 0 3 435.524 3.410 50 30 IGEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cc1 ZINC000102170129 519762078 /nfs/dbraw/zinc/76/20/78/519762078.db2.gz RBGWQGNVIQGJKO-MOBKVPTQSA-N 0 3 437.540 3.490 50 30 IGEAHN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000013689594 527223394 /nfs/dbraw/zinc/22/33/94/527223394.db2.gz SMVFXPAAXRTNQQ-LJQANCHMSA-N 0 3 428.920 3.277 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(C)c1 ZINC000009271354 556271126 /nfs/dbraw/zinc/27/11/26/556271126.db2.gz URKSMSHSWHRYRE-HXUWFJFHSA-N 0 3 439.468 3.052 50 30 IGEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000016734500 556632758 /nfs/dbraw/zinc/63/27/58/556632758.db2.gz UZURCGBIEIEPTD-QFIPXVFZSA-N 0 3 436.508 3.400 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccncc1 ZINC000013725614 556719352 /nfs/dbraw/zinc/71/93/52/556719352.db2.gz HCOUUFBZRHJUEZ-IBGZPJMESA-N 0 3 429.904 3.274 50 30 IGEAHN C[C@]12CCC[C@]3(CO3)[C@H]1C[C@H]1[C@@H](C2)OC(=O)[C@@H]1CN1CCN(c2ccc(F)cc2)CC1 ZINC000061992844 556767178 /nfs/dbraw/zinc/76/71/78/556767178.db2.gz FIUCPZNGVDJLBY-KAVBHCITSA-N 0 3 428.548 3.475 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)O[C@@H](C)C3)[C@H]1c1ccncc1 ZINC000019861506 556933652 /nfs/dbraw/zinc/93/36/52/556933652.db2.gz DYXWJCDPHQPLEQ-KSFYIVLOSA-N 0 3 435.524 3.325 50 30 IGEAHN CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)cc2C)C(=O)C(=O)N1CCN(C)C ZINC000006197151 557157121 /nfs/dbraw/zinc/15/71/21/557157121.db2.gz RHROIRXDIZTISV-MOBKVPTQSA-N 0 3 438.524 3.386 50 30 IGEAHN Cc1cc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)ccc1OCC(C)C ZINC000102175648 557314288 /nfs/dbraw/zinc/31/42/88/557314288.db2.gz MOJWQPDBELFZCY-HOGKFDNTSA-N 0 3 437.540 3.408 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccs2)cc1OC ZINC000102859080 557399390 /nfs/dbraw/zinc/39/93/90/557399390.db2.gz RFRUMBVBRWRKPR-LFVOPCPISA-N 0 3 430.526 3.139 50 30 IGEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1 ZINC000102929889 557413693 /nfs/dbraw/zinc/41/36/93/557413693.db2.gz FGSMXEABZWEVKM-OBVHCKHUSA-N 0 3 432.524 3.325 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(F)c(F)c1)C2 ZINC000014733514 568826987 /nfs/dbraw/zinc/82/69/87/568826987.db2.gz BPSZAPBVBMVUPA-MRXNPFEDSA-N 0 3 432.540 3.183 50 30 IGEAHN C=CCN1c2ccccc2[C@@]2(C1=O)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCCCN12 ZINC000248158006 568919018 /nfs/dbraw/zinc/91/90/18/568919018.db2.gz JNHADTJUPUDAGI-QILISPFLSA-N 0 3 427.504 3.088 50 30 IGEAHN COc1ccc(OC)c([C@H]2C(C(=O)c3cc(C)ccc3C)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020191939 569355680 /nfs/dbraw/zinc/35/56/80/569355680.db2.gz GSEJEPRCUQOVNZ-QFIPXVFZSA-N 0 3 438.524 3.461 50 30 IGEAHN N#Cc1ccccc1S(=O)(=O)N1CCC(N2CCC(Oc3ccccc3F)CC2)CC1 ZINC000217592042 569449654 /nfs/dbraw/zinc/44/96/54/569449654.db2.gz CLUXRLFRRSHYPH-UHFFFAOYSA-N 0 3 443.544 3.394 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1OCC ZINC000008838337 569478302 /nfs/dbraw/zinc/47/83/02/569478302.db2.gz GYQRRJBGRWRQBH-JBCNATCCSA-N 0 3 442.512 3.450 50 30 IGEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000009007586 569496106 /nfs/dbraw/zinc/49/61/06/569496106.db2.gz GMFJXSYGWZIQSD-HOGKFDNTSA-N 0 3 436.508 3.243 50 30 IGEAHN Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCCN(C)C)o1 ZINC000009235672 569514056 /nfs/dbraw/zinc/51/40/56/569514056.db2.gz SOZIAWIJIKEKFA-FQEVSTJZSA-N 0 3 436.512 3.383 50 30 IGEAHN O=C1C(=Cc2ccccc2)C[C@@]2(O)[C@H]3Cc4ccc(O)c5c4[C@@]2(CCN3CC2CC2)[C@H]1O5 ZINC000003932773 555951561 /nfs/dbraw/zinc/95/15/61/555951561.db2.gz WXOUFNFMPVMGFZ-BDQAUFNLSA-N 0 3 429.516 3.219 50 30 in-vitro IGEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cnn1-c1ccccc1 ZINC000004042221 555955267 /nfs/dbraw/zinc/95/52/67/555955267.db2.gz YSJSVQQTJGSLKZ-QFIPXVFZSA-N 0 3 445.523 3.106 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000016741546 556635460 /nfs/dbraw/zinc/63/54/60/556635460.db2.gz WCFVUXQCQCRVMD-JOCHJYFZSA-N 0 3 436.508 3.378 50 30 IGEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1ccccc1 ZINC000016741546 556635462 /nfs/dbraw/zinc/63/54/62/556635462.db2.gz WCFVUXQCQCRVMD-JOCHJYFZSA-N 0 3 436.508 3.378 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000018208215 556686931 /nfs/dbraw/zinc/68/69/31/556686931.db2.gz XTFCHKIMCWELSE-FQEVSTJZSA-N 0 3 444.915 3.497 50 30 IGEAHN COc1ccc(OC)c([C@H]2C(C(=O)c3c[nH]c4ccccc43)C(=O)C(=O)N2CCN(C)C)c1 ZINC000013730773 556720453 /nfs/dbraw/zinc/72/04/53/556720453.db2.gz HYPVNBMJFTXPLQ-QFIPXVFZSA-N 0 3 449.507 3.325 50 30 IGEAHN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(Cl)c2)c(C)n1 ZINC000013736579 556722684 /nfs/dbraw/zinc/72/26/84/556722684.db2.gz CFTYOCBAMAPMSD-IBGZPJMESA-N 0 3 428.920 3.277 50 30 IGEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1 ZINC000102170134 557314046 /nfs/dbraw/zinc/31/40/46/557314046.db2.gz RBGWQGNVIQGJKO-HOGKFDNTSA-N 0 3 437.540 3.490 50 30 IGEAHN Cc1ncc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(Cl)cc2)c(C)n1 ZINC000102736748 557371839 /nfs/dbraw/zinc/37/18/39/557371839.db2.gz VLARRMVELHKXLU-LFVOPCPISA-N 0 3 428.920 3.120 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(Br)c1 ZINC000020219586 563024102 /nfs/dbraw/zinc/02/41/02/563024102.db2.gz VFHQYXLFUXAKER-GOSISDBHSA-N 0 3 444.329 3.374 50 30 IGEAHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000005981444 568739922 /nfs/dbraw/zinc/73/99/22/568739922.db2.gz AVFZXEQZNCBPIC-KRWDZBQOSA-N 0 3 441.468 3.441 50 30 IGEAHN COc1cc2c(cc1OC)CN([C@@H]1CCCN(Cc3ccc(C#CCCO)cc3)C1)CC2 ZINC000019835826 568855303 /nfs/dbraw/zinc/85/53/03/568855303.db2.gz WULGEOYJGDRREZ-RUZDIDTESA-N 0 3 434.580 3.460 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccccc2)[C@@H]1c1ccc(OC)c(OC)c1 ZINC000008694883 569470136 /nfs/dbraw/zinc/47/01/36/569470136.db2.gz MYADFBJIQKYURA-VFJWVMJUSA-N 0 3 438.524 3.467 50 30 IGEAHN COc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C(O)C(=O)N1CCCN(C)C ZINC000009301994 569520806 /nfs/dbraw/zinc/52/08/06/569520806.db2.gz FGWFMMHCYYREKC-SFHVURJKSA-N 0 3 429.542 3.299 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000009333799 569523149 /nfs/dbraw/zinc/52/31/49/569523149.db2.gz BRAWZWGDUMFEQN-YDJIHCHBSA-N 0 3 441.459 3.497 50 30 IGEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(O)cc2)cc1 ZINC000009356970 569525527 /nfs/dbraw/zinc/52/55/27/569525527.db2.gz TXYMMOCSNFNTDU-HOGKFDNTSA-N 0 3 436.508 3.330 50 30 IGEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2cccnc2)cc1 ZINC000009359206 569525688 /nfs/dbraw/zinc/52/56/88/569525688.db2.gz MZYKNMLDBXRPBO-HOGKFDNTSA-N 0 3 435.524 3.410 50 30 IGEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccncc2)cc1 ZINC000009360887 569525820 /nfs/dbraw/zinc/52/58/20/569525820.db2.gz VRCUXWVDTMISMK-MOBKVPTQSA-N 0 3 435.524 3.410 50 30 IGEAHN COc1cc(-c2nnc(SCC(=O)C(C#N)c3nc(C)cs3)o2)cc(OC)c1OC ZINC000013017168 521908948 /nfs/dbraw/zinc/90/89/48/521908948.db2.gz CHVOUFVLCXGHON-LBPRGKRZSA-N 0 3 446.510 3.496 50 30 IGEAHN COc1ccccc1CN1C[C@@H]2C[C@@H](c3ccc(C#CCCO)cc3)N3CCC[C@@]23C1=O ZINC000012303742 524454341 /nfs/dbraw/zinc/45/43/41/524454341.db2.gz QEZKFYADGKOEFE-DPZBCOQUSA-N 0 3 430.548 3.367 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(N(C)C)cc2)cc1 ZINC000019928160 556946082 /nfs/dbraw/zinc/94/60/82/556946082.db2.gz UQHUGQFAVSAUHJ-JOCHJYFZSA-N 0 3 437.540 3.291 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020229127 557001703 /nfs/dbraw/zinc/00/17/03/557001703.db2.gz XBGJPMSMHKWGBU-FQEVSTJZSA-N 0 3 444.915 3.497 50 30 IGEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000020393919 557013195 /nfs/dbraw/zinc/01/31/95/557013195.db2.gz VSNSCYXKDQNYFT-QFIPXVFZSA-N 0 3 436.508 3.487 50 30 IGEAHN Cc1cc(OCC(C)C)ccc1C(=O)C1C(=O)C(=O)N(CCN(C)C)[C@@H]1c1ccncc1 ZINC000102169359 557314041 /nfs/dbraw/zinc/31/40/41/557314041.db2.gz GEUHYAMTUJHIOC-HOGKFDNTSA-N 0 3 437.540 3.408 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000102524792 557353224 /nfs/dbraw/zinc/35/32/24/557353224.db2.gz HSFRLIBWHLLFOZ-OBVHCKHUSA-N 0 3 436.487 3.155 50 30 IGEAHN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCCn2ccnc2)[C@@H]1c1cccc(Cl)c1 ZINC000102740791 557375881 /nfs/dbraw/zinc/37/58/81/557375881.db2.gz FXSXRTOVPDGEKV-LFVOPCPISA-N 0 3 439.903 3.388 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(F)cc2)c(OC)c1 ZINC000102747266 557378450 /nfs/dbraw/zinc/37/84/50/557378450.db2.gz LGYMJBLDBLRBHX-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102890905 557405442 /nfs/dbraw/zinc/40/54/42/557405442.db2.gz NOIHRFZSKCIVKX-NYSCORLISA-N 0 3 436.508 3.002 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2OC)c(C)c1 ZINC000102925875 557410011 /nfs/dbraw/zinc/41/00/11/557410011.db2.gz JWXFYVXOBKFIJH-HOGKFDNTSA-N 0 3 438.524 3.386 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(F)cc2)[C@H]1c1cccc([N+](=O)[O-])c1 ZINC000008981541 569494416 /nfs/dbraw/zinc/49/44/16/569494416.db2.gz NMZXEJFIMLISCP-LFVOPCPISA-N 0 3 427.432 3.107 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(N(C)C)cc2)cc1 ZINC000008996903 569495874 /nfs/dbraw/zinc/49/58/74/569495874.db2.gz NNMPZYSEJPKTOD-MOBKVPTQSA-N 0 3 437.540 3.135 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000009043448 569497865 /nfs/dbraw/zinc/49/78/65/569497865.db2.gz MMZDYQROWAPWNR-JBCNATCCSA-N 0 3 442.512 3.369 50 30 IGEAHN C#CCOC[C@H](O)CN(CCC)Cc1c(-c2ccccc2)noc1N1CCSCC1 ZINC000036249962 518308031 /nfs/dbraw/zinc/30/80/31/518308031.db2.gz UETDGXIPPHOSHK-HXUWFJFHSA-N 0 3 429.586 3.118 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@@H]1c1ccccn1 ZINC000013124755 520655831 /nfs/dbraw/zinc/65/58/31/520655831.db2.gz VPGBGCFUJVUOEJ-NRFANRHFSA-N 0 3 439.512 3.019 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000012576529 524110744 /nfs/dbraw/zinc/11/07/44/524110744.db2.gz SUVLRYQWBKQNKU-GOSISDBHSA-N 0 3 430.526 3.295 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000013571589 524171557 /nfs/dbraw/zinc/17/15/57/524171557.db2.gz IDHYQLSDRASBOX-IBGZPJMESA-N 0 3 428.485 3.135 50 30 IGEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccnc2)cnn1-c1ccccc1 ZINC000009066504 556244873 /nfs/dbraw/zinc/24/48/73/556244873.db2.gz RGFGCXKFEBPBQH-QFIPXVFZSA-N 0 3 445.523 3.106 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccnc1 ZINC000013729011 556721185 /nfs/dbraw/zinc/72/11/85/556721185.db2.gz YUMLCOQYPYVDHR-LJQANCHMSA-N 0 3 429.904 3.274 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2OC)cc1F ZINC000013735500 556721947 /nfs/dbraw/zinc/72/19/47/556721947.db2.gz PGONONZMEPKDRP-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)cc1 ZINC000019885738 556938687 /nfs/dbraw/zinc/93/86/87/556938687.db2.gz QUYRCUBSVLJZGJ-FQEVSTJZSA-N 0 3 439.468 3.133 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cc1Cl ZINC000020229448 557001711 /nfs/dbraw/zinc/00/17/11/557001711.db2.gz AYERXZRHQZHNGE-LJQANCHMSA-N 0 3 429.904 3.274 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000020263895 557004475 /nfs/dbraw/zinc/00/44/75/557004475.db2.gz XTFCHKIMCWELSE-HXUWFJFHSA-N 0 3 444.915 3.497 50 30 IGEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccncc2)cc1 ZINC000102170256 557314051 /nfs/dbraw/zinc/31/40/51/557314051.db2.gz YKCLDJRAXKGKEX-MOBKVPTQSA-N 0 3 437.540 3.490 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102493427 557335580 /nfs/dbraw/zinc/33/55/80/557335580.db2.gz QNDUPSPDPQBLPQ-NHFXJNLRSA-N 0 3 444.915 3.341 50 30 IGEAHN C[C@@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccc(O)c3)ccc2O1 ZINC000102513354 557350322 /nfs/dbraw/zinc/35/03/22/557350322.db2.gz XMFMLDHMIUKMHT-NYSCORLISA-N 0 3 436.508 3.089 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000102860996 557401593 /nfs/dbraw/zinc/40/15/93/557401593.db2.gz LDQZVSPZCXEOTR-IAMBOQNYSA-N 0 3 448.523 3.025 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102860996 557401595 /nfs/dbraw/zinc/40/15/95/557401595.db2.gz LDQZVSPZCXEOTR-IAMBOQNYSA-N 0 3 448.523 3.025 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccccc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102862492 557402999 /nfs/dbraw/zinc/40/29/99/557402999.db2.gz JWDCDDDKMPALTF-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccc1F ZINC000102877429 557406669 /nfs/dbraw/zinc/40/66/69/557406669.db2.gz LPHKZGOMKYXDKO-OBVHCKHUSA-N 0 3 436.487 3.155 50 30 IGEAHN C=C(C)[C@@H]1CC=C(CN2CCc3nnc(CNC(=O)c4ccc(COC)o4)n3CC2)CC1 ZINC000011910868 568820904 /nfs/dbraw/zinc/82/09/04/568820904.db2.gz NQOZZBIOWSKANV-LJQANCHMSA-N 0 3 439.560 3.108 50 30 IGEAHN CC(C)(C)OC(=O)NC1CCN(CCCC(=O)N(CCC#N)Cc2cccnc2)CC1 ZINC000170595785 569141774 /nfs/dbraw/zinc/14/17/74/569141774.db2.gz LZSMIGIOVJFLNN-UHFFFAOYSA-N 0 3 429.565 3.093 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c(OC)c1 ZINC000008838176 569478211 /nfs/dbraw/zinc/47/82/11/569478211.db2.gz NMKGYWFBAAPMQE-WOOAAIBNSA-N 0 3 430.526 3.139 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008921079 569486773 /nfs/dbraw/zinc/48/67/73/569486773.db2.gz RNYYGDPLPJVCPS-SELCWUDQSA-N 0 3 429.498 3.420 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009015295 569496695 /nfs/dbraw/zinc/49/66/95/569496695.db2.gz BOLUAHJTTSXMQB-NYHFZMIOSA-N 0 3 436.508 3.159 50 30 IGEAHN Cc1ccc([C@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCCN(C)C)o1 ZINC000009271604 569517802 /nfs/dbraw/zinc/51/78/02/569517802.db2.gz JEEJERWEYBQNTN-MOBKVPTQSA-N 0 3 448.523 3.456 50 30 IGEAHN N#Cc1ccsc1NC(=O)CCN1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1 ZINC000009663514 569557277 /nfs/dbraw/zinc/55/72/77/569557277.db2.gz HEZRUNLTPPCUBV-UHFFFAOYSA-N 0 3 426.498 3.028 50 30 IGEAHN C#CCOC[C@@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCSCC1)CC(C)C ZINC000036249931 518302816 /nfs/dbraw/zinc/30/28/16/518302816.db2.gz MWHKJGRUIIPKPE-NRFANRHFSA-N 0 3 443.613 3.364 50 30 IGEAHN CC(C)COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccncc2)cc1 ZINC000102170260 519761988 /nfs/dbraw/zinc/76/19/88/519761988.db2.gz YKCLDJRAXKGKEX-HOGKFDNTSA-N 0 3 437.540 3.490 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@@H]1c1cc(OC)ccc1OC ZINC000009271653 520654611 /nfs/dbraw/zinc/65/46/11/520654611.db2.gz YSBRVJOOXLAAAE-NHFXJNLRSA-N 0 3 428.485 3.060 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000013571591 524109080 /nfs/dbraw/zinc/10/90/80/524109080.db2.gz IDHYQLSDRASBOX-LJQANCHMSA-N 0 3 428.485 3.135 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000013728524 556721264 /nfs/dbraw/zinc/72/12/64/556721264.db2.gz VHVWSMHYMHLDAJ-NRFANRHFSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccccn1 ZINC000013729818 556721506 /nfs/dbraw/zinc/72/15/06/556721506.db2.gz XYKHHJSYOUKHHX-LJQANCHMSA-N 0 3 429.904 3.274 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000020109603 556984454 /nfs/dbraw/zinc/98/44/54/556984454.db2.gz AQJCJYQQKLLPBA-FQEVSTJZSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000020136246 556988405 /nfs/dbraw/zinc/98/84/05/556988405.db2.gz FWKHSAQVQNTSCY-LJQANCHMSA-N 0 3 430.526 3.295 50 30 IGEAHN COc1cccc(C(=O)C2C(=O)C(=O)N(CCCn3ccnc3)[C@@H]2c2cccc(OC)c2)c1 ZINC000102534325 557344604 /nfs/dbraw/zinc/34/46/04/557344604.db2.gz CBYGMHKZFHIOFC-HOGKFDNTSA-N 0 3 447.491 3.412 50 30 IGEAHN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(OC(C)C)c1 ZINC000102746040 557378041 /nfs/dbraw/zinc/37/80/41/557378041.db2.gz SUYGBRQKWUXGKN-MRJHHRETSA-N 0 3 440.544 3.187 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc(F)cc2)c(OC)c1 ZINC000102747263 557378395 /nfs/dbraw/zinc/37/83/95/557378395.db2.gz LGYMJBLDBLRBHX-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000102890911 557405453 /nfs/dbraw/zinc/40/54/53/557405453.db2.gz NOIHRFZSKCIVKX-IUOUCKIRSA-N 0 3 436.508 3.002 50 30 IGEAHN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)c1 ZINC000020133225 569335557 /nfs/dbraw/zinc/33/55/57/569335557.db2.gz VKRMJTNKNNRVDL-FQEVSTJZSA-N 0 3 439.468 3.133 50 30 IGEAHN Cc1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCCO4)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000020219318 569356768 /nfs/dbraw/zinc/35/67/68/569356768.db2.gz DMJUNCDHMCHQQE-QFIPXVFZSA-N 0 3 436.508 3.296 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1ccc(OC)c(OC)c1 ZINC000020219557 569356870 /nfs/dbraw/zinc/35/68/70/569356870.db2.gz LWRQORWTEIRUAD-OAQYLSRUSA-N 0 3 439.512 3.019 50 30 IGEAHN COc1ccc(OC)c([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000008905504 569484643 /nfs/dbraw/zinc/48/46/43/569484643.db2.gz KCUAIRMORGPZOA-LFVOPCPISA-N 0 3 430.526 3.139 50 30 IGEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)cc1 ZINC000009007640 569496191 /nfs/dbraw/zinc/49/61/91/569496191.db2.gz YMQOJQVHHVUZHI-HOGKFDNTSA-N 0 3 436.508 3.243 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1cccc(Cl)c1 ZINC000009045617 569498088 /nfs/dbraw/zinc/49/80/88/569498088.db2.gz LLULIXBPRNVJHJ-HXUWFJFHSA-N 0 3 438.915 3.436 50 30 IGEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009046247 569498319 /nfs/dbraw/zinc/49/83/19/569498319.db2.gz ACPLLWPOMRRTRJ-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN C#CCOC[C@H](O)CN(CCCOC)Cc1c(-c2ccccc2)noc1N1CCCCC1 ZINC000036313029 518307822 /nfs/dbraw/zinc/30/78/22/518307822.db2.gz WZULRBCIXDOZRJ-JOCHJYFZSA-N 0 3 441.572 3.181 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1cc(F)ccc1F)C2 ZINC000014733162 519289844 /nfs/dbraw/zinc/28/98/44/519289844.db2.gz LQFZTBNSQKVJQP-QGZVFWFLSA-N 0 3 432.540 3.183 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(F)c2)c(OC)c1 ZINC000013692862 523553380 /nfs/dbraw/zinc/55/33/80/523553380.db2.gz MOQVRJWRDDMVPU-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)c(OC)c1 ZINC000013719363 523553507 /nfs/dbraw/zinc/55/35/07/523553507.db2.gz XTDRHTFMGWOWEM-IBGZPJMESA-N 0 3 430.526 3.295 50 30 IGEAHN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(Cl)c1 ZINC000013691365 527605494 /nfs/dbraw/zinc/60/54/94/527605494.db2.gz UHFFWPBAVXXKCH-IBGZPJMESA-N 0 3 430.936 3.220 50 30 IGEAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@]6(CO6)[C@H]5C[C@H]34)CC2)c1 ZINC000229992588 556433385 /nfs/dbraw/zinc/43/33/85/556433385.db2.gz SGDNDBSJHXDOKR-YPROMPOGSA-N 0 3 440.584 3.344 50 30 IGEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(OC)cc2)cc1 ZINC000020170993 556994838 /nfs/dbraw/zinc/99/48/38/556994838.db2.gz PGAAKIUQRZMPJT-QFIPXVFZSA-N 0 3 436.508 3.400 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000020265623 557004438 /nfs/dbraw/zinc/00/44/38/557004438.db2.gz SICIVVVNDVBRRO-IBGZPJMESA-N 0 3 430.526 3.295 50 30 IGEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2ccccn2)cc1 ZINC000101288091 557268262 /nfs/dbraw/zinc/26/82/62/557268262.db2.gz LWBUDMLXVUYDLN-MOBKVPTQSA-N 0 3 435.524 3.410 50 30 IGEAHN Cc1n[nH]c(C)c1C(=O)C1C(=O)C(=O)N(CCCn2ccnc2)[C@H]1c1cccc(Cl)c1 ZINC000102740788 557375946 /nfs/dbraw/zinc/37/59/46/557375946.db2.gz FXSXRTOVPDGEKV-WOOAAIBNSA-N 0 3 439.903 3.388 50 30 IGEAHN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(OC(C)C)c1 ZINC000102746043 557378153 /nfs/dbraw/zinc/37/81/53/557378153.db2.gz SUYGBRQKWUXGKN-JBCNATCCSA-N 0 3 440.544 3.187 50 30 IGEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccncc2)cc1Cl ZINC000102883083 557408837 /nfs/dbraw/zinc/40/88/37/557408837.db2.gz XFKUCJKQHGMNHB-LFVOPCPISA-N 0 3 429.904 3.117 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)o1 ZINC000102884756 557409051 /nfs/dbraw/zinc/40/90/51/557409051.db2.gz DZHLIGAWRMRJFY-MRJHHRETSA-N 0 3 440.496 3.123 50 30 IGEAHN C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@@H](N1CCC(Cc3ccccc3)CC1)C2 ZINC000014755205 568826969 /nfs/dbraw/zinc/82/69/69/568826969.db2.gz MCPFZFKCWBUZGD-HSZRJFAPSA-N 0 3 448.611 3.354 50 30 IGEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000006193536 568876605 /nfs/dbraw/zinc/87/66/05/568876605.db2.gz OKMRHADTLAHXMC-MOBKVPTQSA-N 0 3 438.524 3.473 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@@H]1c1ccc(O)cc1 ZINC000006193536 568876606 /nfs/dbraw/zinc/87/66/06/568876606.db2.gz OKMRHADTLAHXMC-MOBKVPTQSA-N 0 3 438.524 3.473 50 30 IGEAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@H]34)CC2)c1 ZINC000059409342 569461218 /nfs/dbraw/zinc/46/12/18/569461218.db2.gz BWCCPKOGNYJWSN-XQDLNMBRSA-N 0 3 440.584 3.343 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccnc1 ZINC000009177862 569509788 /nfs/dbraw/zinc/50/97/88/569509788.db2.gz MPQQJTISSCWSDC-GHNGSUTGSA-N 0 3 444.329 3.218 50 30 IGEAHN Cc1ccc([C@@H]2C(C(=O)c3cnn(-c4ccccc4)c3C)=C(O)C(=O)N2CCCN(C)C)o1 ZINC000009271603 569517848 /nfs/dbraw/zinc/51/78/48/569517848.db2.gz JEEJERWEYBQNTN-HOGKFDNTSA-N 0 3 448.523 3.456 50 30 IGEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000009374370 569527150 /nfs/dbraw/zinc/52/71/50/569527150.db2.gz OTCSUPWDNDNPSN-HOGKFDNTSA-N 0 3 438.524 3.473 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(C)c2)[C@H]1c1ccc(O)cc1 ZINC000009374370 569527151 /nfs/dbraw/zinc/52/71/51/569527151.db2.gz OTCSUPWDNDNPSN-HOGKFDNTSA-N 0 3 438.524 3.473 50 30 IGEAHN CCOc1ccccc1N1CCN(c2nc3ccccc3nc2C(C#N)C(=O)OC)CC1 ZINC000004082745 132269516 /nfs/dbraw/zinc/26/95/16/132269516.db2.gz HFXCPHGCEJCQFE-QGZVFWFLSA-N 0 3 431.496 3.135 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccnc1 ZINC000019884927 524054809 /nfs/dbraw/zinc/05/48/09/524054809.db2.gz SZHKAAQNDJFQAU-SFHVURJKSA-N 0 3 444.329 3.374 50 30 IGEAHN N#Cc1c2c(sc1NC(=O)CCN1CCC(C(=O)NCc3ccccc3)CC1)CCC2 ZINC000012782227 526532324 /nfs/dbraw/zinc/53/23/24/526532324.db2.gz UXOOOJBQYSDSCT-UHFFFAOYSA-N 0 3 436.581 3.465 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000008743981 556208507 /nfs/dbraw/zinc/20/85/07/556208507.db2.gz ZOBWJZAZRPBELF-SELCWUDQSA-N 0 3 430.526 3.139 50 30 IGEAHN COc1cccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@H](C)[C@@]56O[C@H]6[C@@H]43)CC2)c1 ZINC000061991222 556766907 /nfs/dbraw/zinc/76/69/07/556766907.db2.gz BWCCPKOGNYJWSN-XSWJKVCQSA-N 0 3 440.584 3.343 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2OC)cc1F ZINC000102736101 557373155 /nfs/dbraw/zinc/37/31/55/557373155.db2.gz WGSADLURFBGHAB-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)cc1Cl ZINC000020228257 569357044 /nfs/dbraw/zinc/35/70/44/569357044.db2.gz UIHJWQKAXABDOV-HXUWFJFHSA-N 0 3 444.915 3.497 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccc(Cl)cc2)cc1OC ZINC000008921604 569486849 /nfs/dbraw/zinc/48/68/49/569486849.db2.gz ZKPWHICTTBWCMQ-NHFXJNLRSA-N 0 3 444.915 3.341 50 30 IGEAHN Cc1nc2c(C)cccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1 ZINC000009046447 569498399 /nfs/dbraw/zinc/49/83/99/569498399.db2.gz UPVLRPQBCKTSIB-NRFANRHFSA-N 0 3 432.524 3.481 50 30 IGEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1 ZINC000009046447 569498400 /nfs/dbraw/zinc/49/84/00/569498400.db2.gz UPVLRPQBCKTSIB-NRFANRHFSA-N 0 3 432.524 3.481 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000009186455 569510165 /nfs/dbraw/zinc/51/01/65/569510165.db2.gz LOIIZOFEJSIEBL-MOBKVPTQSA-N 0 3 438.524 3.386 50 30 IGEAHN COC(=O)c1[nH]c(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)c1C ZINC000009234709 569514022 /nfs/dbraw/zinc/51/40/22/569514022.db2.gz WIPYDOWXUHKMNA-SFHVURJKSA-N 0 3 445.541 3.010 50 30 IGEAHN C#CCOC[C@H](O)CN(Cc1c(-c2ccccc2)noc1N1CCSCC1)CC(C)C ZINC000036249932 518310182 /nfs/dbraw/zinc/31/01/82/518310182.db2.gz MWHKJGRUIIPKPE-OAQYLSRUSA-N 0 3 443.613 3.364 50 30 IGEAHN CC(C)[C@@H](CN(Cc1ccc(Cl)c(Cl)c1)S(=O)(=O)N(C)CCC#N)N(C)C ZINC000048333508 519794131 /nfs/dbraw/zinc/79/41/31/519794131.db2.gz DMMYAJYBZZRCFL-GOSISDBHSA-N 0 3 435.421 3.472 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3cccc(OC)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009240094 521233585 /nfs/dbraw/zinc/23/35/85/521233585.db2.gz FPEZWCBRLDVMHM-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000095536880 527671973 /nfs/dbraw/zinc/67/19/73/527671973.db2.gz PQKYWFSJUVZYOK-FQEVSTJZSA-N 0 3 432.436 3.460 50 30 IGEAHN CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2ccncc2)cc1Cl ZINC000009044241 556242407 /nfs/dbraw/zinc/24/24/07/556242407.db2.gz JDQOWFLMCMQYIS-IBGZPJMESA-N 0 3 429.904 3.274 50 30 IGEAHN C=CCc1ccc(OCC(=O)NCc2ccccc2CN2CCN(CC)CC2)c(OC)c1 ZINC000032915642 556613040 /nfs/dbraw/zinc/61/30/40/556613040.db2.gz YBANMAMMLSWHBZ-UHFFFAOYSA-N 0 3 437.584 3.256 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3cc(F)ccc3OC)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000013730695 556720586 /nfs/dbraw/zinc/72/05/86/556720586.db2.gz VSSFVAILQZDEDQ-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(OC)cc2)cc1 ZINC000020170995 556994872 /nfs/dbraw/zinc/99/48/72/556994872.db2.gz PGAAKIUQRZMPJT-JOCHJYFZSA-N 0 3 436.508 3.400 50 30 IGEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@@H]2c2ccccn2)cc1 ZINC000101288089 557268371 /nfs/dbraw/zinc/26/83/71/557268371.db2.gz LWBUDMLXVUYDLN-HOGKFDNTSA-N 0 3 435.524 3.410 50 30 IGEAHN COc1ccc([C@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)N2CCCC2)cc1 ZINC000014066536 557293209 /nfs/dbraw/zinc/29/32/09/557293209.db2.gz HYGLEWPAIDMXMV-VWLOTQADSA-N 0 3 447.583 3.231 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccn1 ZINC000102740758 557375992 /nfs/dbraw/zinc/37/59/92/557375992.db2.gz VXTZALAALSTDLS-WOOAAIBNSA-N 0 3 429.904 3.117 50 30 IGEAHN COc1ccccc1[C@@H]1C(C(=O)c2ccc(OC(C)C)cc2)C(=O)C(=O)N1CCN(C)C ZINC000102895226 557406109 /nfs/dbraw/zinc/40/61/09/557406109.db2.gz PWVRJEPXXBORRF-HOGKFDNTSA-N 0 3 438.524 3.466 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000009067140 569499945 /nfs/dbraw/zinc/49/99/45/569499945.db2.gz MODGYHMYOIXCNQ-QFIPXVFZSA-N 0 3 448.523 3.181 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009067140 569499946 /nfs/dbraw/zinc/49/99/46/569499946.db2.gz MODGYHMYOIXCNQ-QFIPXVFZSA-N 0 3 448.523 3.181 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@H]1c1cccc(OC)c1 ZINC000009173195 569509644 /nfs/dbraw/zinc/50/96/44/569509644.db2.gz XGIGPNCKSIOIAU-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN Cc1nn(C)c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000013684884 527605237 /nfs/dbraw/zinc/60/52/37/527605237.db2.gz GSAPDUCSWSJTGI-LJQANCHMSA-N 0 3 430.936 3.220 50 30 IGEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccnc3)oc21 ZINC000020219434 556999650 /nfs/dbraw/zinc/99/96/50/556999650.db2.gz YRDISLXAXIGGLJ-HXUWFJFHSA-N 0 3 435.480 3.366 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(C)o1 ZINC000020291577 557005842 /nfs/dbraw/zinc/00/58/42/557005842.db2.gz GKHZWTDWSIMJJC-NRFANRHFSA-N 0 3 440.496 3.279 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)C(=O)C(=O)N2CCN(C)C)cc1OCC ZINC000102488709 557331918 /nfs/dbraw/zinc/33/19/18/557331918.db2.gz KZMGYBDTXNYVSH-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OC)c(C)c2)C(=O)C(=O)N1CCN(C)C ZINC000102493094 557335360 /nfs/dbraw/zinc/33/53/60/557335360.db2.gz PMYVDDFDPGBYRS-MOBKVPTQSA-N 0 3 438.524 3.386 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccs2)c(OC)c1 ZINC000102739066 557380298 /nfs/dbraw/zinc/38/02/98/557380298.db2.gz YFCIIWIXMDBEEJ-WOOAAIBNSA-N 0 3 430.526 3.139 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccco2)[C@H]1c1cccc(Br)c1 ZINC000104189286 557452499 /nfs/dbraw/zinc/45/24/99/557452499.db2.gz DHEKSKAQXPZOPS-GROYHEBESA-N 0 3 433.302 3.416 50 30 IGEAHN COc1cccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccc([N+](=O)[O-])cc2)c1 ZINC000020150018 569336358 /nfs/dbraw/zinc/33/63/58/569336358.db2.gz GNWISGDTDXOBGH-HXUWFJFHSA-N 0 3 439.468 3.133 50 30 IGEAHN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000008838129 569478266 /nfs/dbraw/zinc/47/82/66/569478266.db2.gz IWDNHFKRGIXOHM-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@H]1c1cccc(Cl)c1 ZINC000009045612 569498060 /nfs/dbraw/zinc/49/80/60/569498060.db2.gz LLULIXBPRNVJHJ-FQEVSTJZSA-N 0 3 438.915 3.436 50 30 IGEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000009046249 569498269 /nfs/dbraw/zinc/49/82/69/569498269.db2.gz ACPLLWPOMRRTRJ-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000009177965 569509779 /nfs/dbraw/zinc/50/97/79/569509779.db2.gz RAFFLJPWSRZQDG-NHFXJNLRSA-N 0 3 428.485 3.060 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009270777 569517642 /nfs/dbraw/zinc/51/76/42/569517642.db2.gz KOBNNPMEKRHQJJ-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2)[C@@H]1c1ccc(OC)cc1 ZINC000009270777 569517643 /nfs/dbraw/zinc/51/76/43/569517643.db2.gz KOBNNPMEKRHQJJ-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)cc1 ZINC000022275831 519047330 /nfs/dbraw/zinc/04/73/30/519047330.db2.gz VGKCNJSBKSMGIE-QFIPXVFZSA-N 0 3 436.508 3.400 50 30 IGEAHN CCOC(=O)c1[nH]c(C)c(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@H]2c2cccs2)c1C ZINC000013692615 521361004 /nfs/dbraw/zinc/36/10/04/521361004.db2.gz CZQRRBSHYFNHDY-SFHVURJKSA-N 0 3 445.541 3.010 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(F)c3)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000016805249 556643361 /nfs/dbraw/zinc/64/33/61/556643361.db2.gz CSEIDHIJPJSCID-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OC)cc3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020263695 557004158 /nfs/dbraw/zinc/00/41/58/557004158.db2.gz JDPFSWTVGBLMNO-QFIPXVFZSA-N 0 3 436.508 3.400 50 30 IGEAHN CCCN1c2ccccc2[C@]2(C1=O)C(C(=O)c1ccccc1)=C(O)C(=O)N2CCCN(C)C ZINC000024192933 557140110 /nfs/dbraw/zinc/14/01/10/557140110.db2.gz ZYPDPKXZNZXDSU-AREMUKBSSA-N 0 3 447.535 3.127 50 30 IGEAHN COc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000102500776 557337901 /nfs/dbraw/zinc/33/79/01/557337901.db2.gz RTAIETSIFUKUBK-HFEWCJDKSA-N 0 3 448.523 3.025 50 30 IGEAHN COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102519587 557351401 /nfs/dbraw/zinc/35/14/01/557351401.db2.gz NTRPKEYPKMGWGV-HOGKFDNTSA-N 0 3 438.524 3.386 50 30 IGEAHN Cc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCCN(C)C)o1 ZINC000102523314 557352946 /nfs/dbraw/zinc/35/29/46/557352946.db2.gz PGUOPVXREOPWFT-QOJBNDRUSA-N 0 3 436.512 3.226 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2OC)cc1C ZINC000102691887 557364276 /nfs/dbraw/zinc/36/42/76/557364276.db2.gz NXLCKPUIZVEMAJ-HOGKFDNTSA-N 0 3 438.524 3.386 50 30 IGEAHN Cn1c2ccccc2nc1C(C#N)C(=O)c1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O ZINC000005981445 568739928 /nfs/dbraw/zinc/73/99/28/568739928.db2.gz AVFZXEQZNCBPIC-QGZVFWFLSA-N 0 3 441.468 3.441 50 30 IGEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCN(C)C)[C@@H]1c1ccc(F)cc1 ZINC000009042039 569497727 /nfs/dbraw/zinc/49/77/27/569497727.db2.gz MAMKWZAUMUCZPL-HXUWFJFHSA-N 0 3 436.487 3.230 50 30 IGEAHN CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000009070436 569500123 /nfs/dbraw/zinc/50/01/23/569500123.db2.gz FQHBZFWWBAUPKG-JBCNATCCSA-N 0 3 442.512 3.450 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000009177960 569509824 /nfs/dbraw/zinc/50/98/24/569509824.db2.gz RAFFLJPWSRZQDG-YDJIHCHBSA-N 0 3 428.485 3.060 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(C)cc2)cc1OC ZINC000009241178 569514646 /nfs/dbraw/zinc/51/46/46/569514646.db2.gz YXWSFNSXJULJRD-MOBKVPTQSA-N 0 3 438.524 3.386 50 30 IGEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCN(CC)CC)[C@H]2c2cccnc2)cc1 ZINC000009359210 569525683 /nfs/dbraw/zinc/52/56/83/569525683.db2.gz MZYKNMLDBXRPBO-MOBKVPTQSA-N 0 3 435.524 3.410 50 30 IGEAHN C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccc(O)cc2)cc1 ZINC000009435715 569534860 /nfs/dbraw/zinc/53/48/60/569534860.db2.gz TXYMMOCSNFNTDU-MOBKVPTQSA-N 0 3 436.508 3.330 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)c1OC ZINC000020109604 556984522 /nfs/dbraw/zinc/98/45/22/556984522.db2.gz AQJCJYQQKLLPBA-HXUWFJFHSA-N 0 3 442.487 3.373 50 30 IGEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)cc1 ZINC000020171999 556994860 /nfs/dbraw/zinc/99/48/60/556994860.db2.gz FMLPWXCSWWZWFI-JOCHJYFZSA-N 0 3 436.508 3.400 50 30 IGEAHN COc1cccc([C@@H]2C(C(=O)c3ccc(OC)c(Cl)c3)C(=O)C(=O)N2CCN(C)C)c1 ZINC000020229129 557001683 /nfs/dbraw/zinc/00/16/83/557001683.db2.gz XBGJPMSMHKWGBU-HXUWFJFHSA-N 0 3 444.915 3.497 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(O)c2)cc1F ZINC000024116832 557138036 /nfs/dbraw/zinc/13/80/36/557138036.db2.gz QGBBGRAFHAPOEZ-FQEVSTJZSA-N 0 3 428.460 3.070 50 30 IGEAHN CN(C)CCCN1C(=O)C(O)=C(C(=O)c2ccncc2)[C@H]1c1cccc(Br)c1 ZINC000101100266 557255398 /nfs/dbraw/zinc/25/53/98/557255398.db2.gz LLABHFSLBXSDNV-SELCWUDQSA-N 0 3 444.329 3.218 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccc(F)cc2)cc1Cl ZINC000102541849 557348411 /nfs/dbraw/zinc/34/84/11/557348411.db2.gz GLYIHIGMVUINKA-LFVOPCPISA-N 0 3 432.879 3.471 50 30 IGEAHN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000102926182 557410098 /nfs/dbraw/zinc/41/00/98/557410098.db2.gz DPFMCYIVZSASJN-NHFXJNLRSA-N 0 3 432.436 3.303 50 30 IGEAHN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000102926184 557410132 /nfs/dbraw/zinc/41/01/32/557410132.db2.gz DPFMCYIVZSASJN-YDJIHCHBSA-N 0 3 432.436 3.303 50 30 IGEAHN Cc1nc2c(C)cccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccccc1 ZINC000102929886 557413614 /nfs/dbraw/zinc/41/36/14/557413614.db2.gz FGSMXEABZWEVKM-PGVNHDJNSA-N 0 3 432.524 3.325 50 30 IGEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccco2)cnn1-c1ccccc1 ZINC000009275666 562968784 /nfs/dbraw/zinc/96/87/84/562968784.db2.gz MEHNLUFNFXEUTA-OAQYLSRUSA-N 0 3 434.496 3.304 50 30 IGEAHN C=CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](NCc1ccc(F)cc1F)C2 ZINC000014732039 568827082 /nfs/dbraw/zinc/82/70/82/568827082.db2.gz LUWJZWGBWMXSAZ-QGZVFWFLSA-N 0 3 432.540 3.183 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cc1Cl ZINC000020233655 569357213 /nfs/dbraw/zinc/35/72/13/569357213.db2.gz NTJJQXOVEHFXBA-LJQANCHMSA-N 0 3 429.904 3.274 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000008818068 569476991 /nfs/dbraw/zinc/47/69/91/569476991.db2.gz DWRKJQACMLNDAT-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2cccs2)[C@@H]1c1ccc([N+](=O)[O-])cc1 ZINC000008921084 569486805 /nfs/dbraw/zinc/48/68/05/569486805.db2.gz RNYYGDPLPJVCPS-GHNGSUTGSA-N 0 3 429.498 3.420 50 30 IGEAHN CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000009070449 569500073 /nfs/dbraw/zinc/50/00/73/569500073.db2.gz FQHBZFWWBAUPKG-MRJHHRETSA-N 0 3 442.512 3.450 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2ccccc2F)cc1OC ZINC000009173230 569509661 /nfs/dbraw/zinc/50/96/61/569509661.db2.gz HTIBZABCJXZQMF-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2ccccc2OC)cc1Cl ZINC000009175093 569509715 /nfs/dbraw/zinc/50/97/15/569509715.db2.gz WKDOEXFDRNECOM-YDJIHCHBSA-N 0 3 444.915 3.341 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000009271470 569517732 /nfs/dbraw/zinc/51/77/32/569517732.db2.gz CONVWQSSKMETBQ-SFHVURJKSA-N 0 3 429.542 3.299 50 30 IGEAHN COc1cccc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@H]3c3cccnc3)oc21 ZINC000009275744 569518409 /nfs/dbraw/zinc/51/84/09/569518409.db2.gz OWSRAMOFTZJPGC-NHFXJNLRSA-N 0 3 435.480 3.210 50 30 IGEAHN C#CCOC[C@@H](O)CN(CCC)Cc1c(-c2ccccc2)noc1N1CCSCC1 ZINC000036249961 518298632 /nfs/dbraw/zinc/29/86/32/518298632.db2.gz UETDGXIPPHOSHK-FQEVSTJZSA-N 0 3 429.586 3.118 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)c(OC)c2)[C@H]1c1ccccn1 ZINC000013124756 520656468 /nfs/dbraw/zinc/65/64/68/520656468.db2.gz VPGBGCFUJVUOEJ-OAQYLSRUSA-N 0 3 439.512 3.019 50 30 IGEAHN CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)C(=O)C(=O)N2CCN(C)C)cc1OC ZINC000012757701 521237012 /nfs/dbraw/zinc/23/70/12/521237012.db2.gz HGUIOGBRHMPPED-OAQYLSRUSA-N 0 3 442.487 3.373 50 30 IGEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccnc2)cnn1-c1ccccc1 ZINC000009240130 525553109 /nfs/dbraw/zinc/55/31/09/525553109.db2.gz RGFGCXKFEBPBQH-JOCHJYFZSA-N 0 3 445.523 3.106 50 30 IGEAHN O=C(C1=C(O)C(=O)N(CCCn2ccnc2)C1c1ccccc1[N+](=O)[O-])c1ccccc1 ZINC000095536879 527672310 /nfs/dbraw/zinc/67/23/10/527672310.db2.gz PQKYWFSJUVZYOK-HXUWFJFHSA-N 0 3 432.436 3.460 50 30 IGEAHN CCN(CCCNc1nc2ccccc2nc1C(C#N)C(=O)OC)C(=O)OC(C)(C)C ZINC000032913355 556598165 /nfs/dbraw/zinc/59/81/65/556598165.db2.gz OZKABBGUTADYDG-OAHLLOKOSA-N 0 3 427.505 3.469 50 30 IGEAHN C=CCOc1ccc(C(=O)C2C(=O)C(=O)N(CCN(C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000016734503 556632795 /nfs/dbraw/zinc/63/27/95/556632795.db2.gz UZURCGBIEIEPTD-JOCHJYFZSA-N 0 3 436.508 3.400 50 30 IGEAHN CCN=C(NCc1ccc2c(c1)OCO2)S[C@H]1CC(=O)N(c2ccccc2F)C1=O ZINC000096487369 556821236 /nfs/dbraw/zinc/82/12/36/556821236.db2.gz YVODPAATUVSFHD-SFHVURJKSA-N 0 3 429.473 3.085 50 30 IGEAHN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCO3)[C@H]1c1ccc(Cl)cc1 ZINC000019880078 556936924 /nfs/dbraw/zinc/93/69/24/556936924.db2.gz GRTGVZNCGWUHRX-LJQANCHMSA-N 0 3 428.872 3.209 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(O)c2)cc1F ZINC000024116827 557138120 /nfs/dbraw/zinc/13/81/20/557138120.db2.gz QGBBGRAFHAPOEZ-HXUWFJFHSA-N 0 3 428.460 3.070 50 30 IGEAHN COc1ccc([C@@H](CNC(=O)N2CCN(Cc3ccc(C#N)cc3)CC2)N2CCCC2)cc1 ZINC000014066533 557294146 /nfs/dbraw/zinc/29/41/46/557294146.db2.gz HYGLEWPAIDMXMV-RUZDIDTESA-N 0 3 447.583 3.231 50 30 IGEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc(OC)c2)cc1 ZINC000102489709 557332263 /nfs/dbraw/zinc/33/22/63/557332263.db2.gz SRSROXUFCLRZTH-MOBKVPTQSA-N 0 3 438.524 3.467 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)cc1OC ZINC000102534899 557344860 /nfs/dbraw/zinc/34/48/60/557344860.db2.gz ZJTSYPKZIITEDS-JBCNATCCSA-N 0 3 442.487 3.216 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)C(=O)C(=O)N2CCCN(C)C)c1 ZINC000102860992 557401629 /nfs/dbraw/zinc/40/16/29/557401629.db2.gz LDQZVSPZCXEOTR-HFEWCJDKSA-N 0 3 448.523 3.025 50 30 IGEAHN COc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn43)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000102860992 557401632 /nfs/dbraw/zinc/40/16/32/557401632.db2.gz LDQZVSPZCXEOTR-HFEWCJDKSA-N 0 3 448.523 3.025 50 30 IGEAHN C=CCn1nc(C(=O)N2CCOCC2)c2c1CC[C@H](N1CCC(Cc3ccccc3)CC1)C2 ZINC000014755204 568826931 /nfs/dbraw/zinc/82/69/31/568826931.db2.gz MCPFZFKCWBUZGD-QHCPKHFHSA-N 0 3 448.611 3.354 50 30 IGEAHN COc1cccc(N2CCN(C[C@@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC[C@@]6(CO6)[C@H]5C[C@H]34)CC2)c1 ZINC000059409336 569461155 /nfs/dbraw/zinc/46/11/55/569461155.db2.gz SGDNDBSJHXDOKR-KJGALXHASA-N 0 3 440.584 3.344 50 30 IGEAHN COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(F)cc3)=C(O)C(=O)N2CCCN(C)C)c1 ZINC000008904492 569484518 /nfs/dbraw/zinc/48/45/18/569484518.db2.gz IWDNHFKRGIXOHM-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN CN(C)CCN(Cc1ccc(C#N)cc1)C(=O)[C@@H]1CCCN(C(=O)c2ccc(F)cc2)C1 ZINC000040108350 569488535 /nfs/dbraw/zinc/48/85/35/569488535.db2.gz VKRZKFBKWQCIAF-JOCHJYFZSA-N 0 3 436.531 3.140 50 30 IGEAHN COc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccccc2F)cc1OC ZINC000009046344 569498395 /nfs/dbraw/zinc/49/83/95/569498395.db2.gz HTIBZABCJXZQMF-MRJHHRETSA-N 0 3 442.487 3.216 50 30 IGEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000009274050 569518162 /nfs/dbraw/zinc/51/81/62/569518162.db2.gz MFFBUNHCPRWXBF-KRWDZBQOSA-N 0 3 444.513 3.198 50 30 IGEAHN CC[NH+](CC)C[C@@H](/C(C)=N/N=C(N)N)[C@@H](c1ccccc1)c1c([O-])c2ccccc2oc1=O ZINC000039944226 520714631 /nfs/dbraw/zinc/71/46/31/520714631.db2.gz VQCXVBUXXLNEKR-FZSFCWCNSA-N 0 3 449.555 3.238 50 30 IGEAHN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(OC(C)C)cc1 ZINC000013690991 526482985 /nfs/dbraw/zinc/48/29/85/526482985.db2.gz GKCLZLQTUDBWFU-OAQYLSRUSA-N 0 3 440.544 3.344 50 30 IGEAHN Cc1n[nH]c(C)c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1cccc(OC(C)C)c1 ZINC000013720401 556717077 /nfs/dbraw/zinc/71/70/77/556717077.db2.gz LDTUTINKTZTNSZ-NRFANRHFSA-N 0 3 440.544 3.344 50 30 IGEAHN CN(C)CCN1C(=O)C(=O)C(C(=O)c2ccc3c(c2)OCO3)[C@@H]1c1ccc(Cl)cc1 ZINC000019880075 556936813 /nfs/dbraw/zinc/93/68/13/556936813.db2.gz GRTGVZNCGWUHRX-IBGZPJMESA-N 0 3 428.872 3.209 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3cccs3)=C(O)C(=O)N2CCCN(C)C)c(OC)c1 ZINC000019927892 556945831 /nfs/dbraw/zinc/94/58/31/556945831.db2.gz PVPXCXFPNOKGRN-LJQANCHMSA-N 0 3 430.526 3.295 50 30 IGEAHN CCOc1ccc(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc(OC)c2)cc1 ZINC000102489719 557332295 /nfs/dbraw/zinc/33/22/95/557332295.db2.gz SRSROXUFCLRZTH-HOGKFDNTSA-N 0 3 438.524 3.467 50 30 IGEAHN Cc1c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@H]2c2ccco2)cnn1-c1ccccc1 ZINC000102497295 557336564 /nfs/dbraw/zinc/33/65/64/557336564.db2.gz UETIOOKAHUOJLE-MRJHHRETSA-N 0 3 434.496 3.147 50 30 IGEAHN Cc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn43)=C(O)C(=O)N2CCCN(C)C)o1 ZINC000102523306 557352918 /nfs/dbraw/zinc/35/29/18/557352918.db2.gz PGUOPVXREOPWFT-ASBZNUFUSA-N 0 3 436.512 3.226 50 30 IGEAHN C[C@H]1Cc2cc(C(=O)C3=C(O)C(=O)N(CCCN(C)C)[C@@H]3c3cccc(O)c3)ccc2O1 ZINC000102645929 557363908 /nfs/dbraw/zinc/36/39/08/557363908.db2.gz XMFMLDHMIUKMHT-IXBTYZTBSA-N 0 3 436.508 3.089 50 30 IGEAHN COc1ccc(Cl)cc1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccnc1 ZINC000102741162 557375846 /nfs/dbraw/zinc/37/58/46/557375846.db2.gz LRFYMRUAJBHPPZ-LFVOPCPISA-N 0 3 429.904 3.117 50 30 IGEAHN Cc1nc(C)c(C(=O)C2=C(O)C(=O)N(CCCN(C)C)[C@@H]2c2cccc([N+](=O)[O-])c2)s1 ZINC000102858993 557399498 /nfs/dbraw/zinc/39/94/98/557399498.db2.gz FDCNCQSJGZCGHF-GROYHEBESA-N 0 3 444.513 3.042 50 30 IGEAHN CCN(CC)CCN1C(=O)C(=O)C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(O)cc1 ZINC000006193501 568876704 /nfs/dbraw/zinc/87/67/04/568876704.db2.gz OKMRHADTLAHXMC-HOGKFDNTSA-N 0 3 438.524 3.473 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc(OC)cc2C)[C@H]1c1ccc(O)cc1 ZINC000006193501 568876706 /nfs/dbraw/zinc/87/67/06/568876706.db2.gz OKMRHADTLAHXMC-HOGKFDNTSA-N 0 3 438.524 3.473 50 30 IGEAHN CCN(CC)CCN1C(=O)C(O)=C(C(=O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccccc1F ZINC000009008313 569496219 /nfs/dbraw/zinc/49/62/19/569496219.db2.gz GVTSLZQIHJPCKU-GOBJLOIFSA-N 0 3 441.459 3.497 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1C(=O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(F)c1 ZINC000009042084 569497639 /nfs/dbraw/zinc/49/76/39/569497639.db2.gz JVLTXQIDXNJGDH-OAQYLSRUSA-N 0 3 436.487 3.312 50 30 IGEAHN Cc1nc2ccccn2c1C(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1cccc(F)c1 ZINC000009042084 569497640 /nfs/dbraw/zinc/49/76/40/569497640.db2.gz JVLTXQIDXNJGDH-OAQYLSRUSA-N 0 3 436.487 3.312 50 30 IGEAHN COc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C(O)C(=O)N2CCCN(C)C)cc1 ZINC000009232839 569513751 /nfs/dbraw/zinc/51/37/51/569513751.db2.gz TZUGSPJKCJRAOQ-GOSISDBHSA-N 0 3 429.542 3.299 50 30 IGEAHN