smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc([C@H](O)CN2CCC3(C=Cc4cc(Cl)c(C)cc4O3)CC2)cc1 ZINC000012188050 519734490 /nfs/dbraw/zinc/73/44/90/519734490.db2.gz JWWPFHJGPWTLLR-JOCHJYFZSA-N 0 3 426.944 4.581 40 0 IJABHN COc1cc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)ccc1OC(C)C ZINC000044905243 522427689 /nfs/dbraw/zinc/42/76/89/522427689.db2.gz VTRGDGUXXMKEME-HXUWFJFHSA-N 0 3 430.976 4.664 40 0 IJABHN COc1ccc([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC ZINC000020451319 525315383 /nfs/dbraw/zinc/31/53/83/525315383.db2.gz SOUYFXSWSGYPRW-IBGZPJMESA-N 0 3 430.548 4.753 40 0 IJABHN c1ccc(COc2ccccc2CNCCCSc2nnnn2-c2ccccc2)cc1 ZINC000022108739 526475130 /nfs/dbraw/zinc/47/51/30/526475130.db2.gz JYVIUXQUDIWELE-UHFFFAOYSA-N 0 3 431.565 4.513 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000009216068 555510392 /nfs/dbraw/zinc/51/03/92/555510392.db2.gz SMQPALBQOAGWGP-VXNXHJTFSA-N 0 3 428.488 4.527 40 0 IJABHN COC(=O)c1c(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)sc2c1CCCC2 ZINC000039756192 556439357 /nfs/dbraw/zinc/43/93/57/556439357.db2.gz GDPQFHLHZNNVPI-UHFFFAOYSA-N 0 3 426.582 4.573 40 0 IJABHN Cc1cc(N2CCN(c3nc(N4CCCCC4)nc4ccccc43)CC2)c2ccccc2n1 ZINC000016268863 556596295 /nfs/dbraw/zinc/59/62/95/556596295.db2.gz OBEZFJRFFHVBPQ-UHFFFAOYSA-N 0 3 438.579 4.803 40 0 IJABHN Cc1ccc(NC(=O)CC2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c(C)c1 ZINC000039964039 556630925 /nfs/dbraw/zinc/63/09/25/556630925.db2.gz HMTHBFWVYBFNPY-DEOSSOPVSA-N 0 3 438.531 4.812 40 0 IJABHN c1ccc(COc2ccccc2CN2CCOC[C@@H](Cc3ccc4cnccc4c3)C2)nc1 ZINC000257201916 556701300 /nfs/dbraw/zinc/70/13/00/556701300.db2.gz AJQAPJYUUYCZAA-QHCPKHFHSA-N 0 3 439.559 4.900 40 0 IJABHN Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@H](O)c3cn(C)c4ccccc34)CC1)O2 ZINC000019125728 556703160 /nfs/dbraw/zinc/70/31/60/556703160.db2.gz JIISLOFLWBEPRP-GOTSBHOMSA-N 0 3 440.971 4.524 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000013687628 556711458 /nfs/dbraw/zinc/71/14/58/556711458.db2.gz YXEPNMZUECRAEI-ACRUOGEOSA-N 0 3 449.304 4.500 40 0 IJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@H]2C1=O ZINC000013750927 556726061 /nfs/dbraw/zinc/72/60/61/556726061.db2.gz UZHWSKWLWRXIMO-FSSWDIPSSA-N 0 3 436.870 4.839 40 0 IJABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCC2 ZINC000019376348 556752170 /nfs/dbraw/zinc/75/21/70/556752170.db2.gz IXOPVFKDFGNEIV-CLJLJLNGSA-N 0 3 429.560 4.713 40 0 IJABHN CC(C)c1ncc(CN2CCC[C@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)cn1 ZINC000019454026 556764728 /nfs/dbraw/zinc/76/47/28/556764728.db2.gz SBPCIEMDMYDHMB-HHHXNRCGSA-N 0 3 428.580 4.577 40 0 IJABHN C[C@H](C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000019459244 556766771 /nfs/dbraw/zinc/76/67/71/556766771.db2.gz CZQAOFSERGHJRE-YADARESESA-N 0 3 448.611 4.588 40 0 IJABHN C[C@H](C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000019459244 556766773 /nfs/dbraw/zinc/76/67/73/556766773.db2.gz CZQAOFSERGHJRE-YADARESESA-N 0 3 448.611 4.588 40 0 IJABHN C[C@H](C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2)c1ccccc1 ZINC000019459244 556766777 /nfs/dbraw/zinc/76/67/77/556766777.db2.gz CZQAOFSERGHJRE-YADARESESA-N 0 3 448.611 4.588 40 0 IJABHN COc1ccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1OC ZINC000019568882 556808947 /nfs/dbraw/zinc/80/89/47/556808947.db2.gz LDCOBNLGPJDKHU-OAHLLOKOSA-N 0 3 435.446 4.947 40 0 IJABHN COc1ccc(CN2CCC[C@](O)(c3ccc(F)cc3)CC2)cc1Cn1nc(C)cc1C ZINC000019574433 556814488 /nfs/dbraw/zinc/81/44/88/556814488.db2.gz JCIMSGXIHQPVOI-AREMUKBSSA-N 0 3 437.559 4.570 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cc1 ZINC000019689991 556845296 /nfs/dbraw/zinc/84/52/96/556845296.db2.gz JQMBYVBIQACGGF-QHCPKHFHSA-N 0 3 433.531 4.644 40 0 IJABHN CCn1ncc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)c1C ZINC000019693960 556848955 /nfs/dbraw/zinc/84/89/55/556848955.db2.gz PHVYQYGBSQVWPT-IBGZPJMESA-N 0 3 439.007 4.767 40 0 IJABHN COc1cccc(CN2CCC[C@H](c3ccc4c(NCc5cccc(C)n5)n[nH]c4n3)C2)c1 ZINC000019742886 556886777 /nfs/dbraw/zinc/88/67/77/556886777.db2.gz COWMBQZAJKGTOI-FQEVSTJZSA-N 0 3 442.567 4.662 40 0 IJABHN Cc1cc(CN2CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc(C)c1O ZINC000072330433 556905449 /nfs/dbraw/zinc/90/54/49/556905449.db2.gz FSKZJEKNOIJYHI-OFNKIYASSA-N 0 3 435.593 4.849 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330521 556906253 /nfs/dbraw/zinc/90/62/53/556906253.db2.gz DEWBTMKTRLMKPD-BWKNWUBXSA-N 0 3 447.554 4.921 40 0 IJABHN Cc1cccc(CN2CCC[C@@H](c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)C2)c1 ZINC000019765485 556909921 /nfs/dbraw/zinc/90/99/21/556909921.db2.gz GRTCFVDKEJPLGI-JOCHJYFZSA-N 0 3 432.543 4.542 40 0 IJABHN COc1ccc(-c2cccc(CN3CCC[C@H]([C@H](NC(C)=O)c4nccs4)C3)c2)cc1 ZINC000072337761 556910591 /nfs/dbraw/zinc/91/05/91/556910591.db2.gz RBYHDNJXBCXYID-UPVQGACJSA-N 0 3 435.593 4.908 40 0 IJABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)cc(C)c2)=N[C@@H]1c1ccccc1 ZINC000408991275 556911662 /nfs/dbraw/zinc/91/16/62/556911662.db2.gz QARYWZKBZZLYQC-JOCHJYFZSA-N 0 3 437.565 4.513 40 0 IJABHN Cc1nc2c(C)cccn2c1CN1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000072371736 556940333 /nfs/dbraw/zinc/94/03/33/556940333.db2.gz INKIBTRUYAWTSC-LJQANCHMSA-N 0 3 449.986 4.939 40 0 IJABHN Cc1nc2c(C)cccn2c1CN1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371736 556940338 /nfs/dbraw/zinc/94/03/38/556940338.db2.gz INKIBTRUYAWTSC-LJQANCHMSA-N 0 3 449.986 4.939 40 0 IJABHN COc1cc(CCN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc(OC)c1OC ZINC000022942520 557053976 /nfs/dbraw/zinc/05/39/76/557053976.db2.gz XQUFBFSPBFJQOF-UHFFFAOYSA-N 0 3 446.591 4.662 40 0 IJABHN COC(=O)c1ccc(Cl)c(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000409301426 557055640 /nfs/dbraw/zinc/05/56/40/557055640.db2.gz FNZPQUOKVZRQGD-UHFFFAOYSA-N 0 3 434.923 4.937 40 0 IJABHN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102712505 557133113 /nfs/dbraw/zinc/13/31/13/557133113.db2.gz DOMCVTQHEFCIBE-BHIFYINESA-N 0 3 436.870 4.839 40 0 IJABHN COCCN(C)c1nc(C2CCN(Cc3ccsc3)CC2)cc2c1ncn2C(C)C ZINC000096100026 557169326 /nfs/dbraw/zinc/16/93/26/557169326.db2.gz QMXMCMWORBZVPN-UHFFFAOYSA-N 0 3 427.618 4.536 40 0 IJABHN COc1ccc(CN2CCC[C@]23CCCN(C(=O)Cc2ccc(Cl)cc2)C3)cc1F ZINC000096214573 557183544 /nfs/dbraw/zinc/18/35/44/557183544.db2.gz NTMUSJNPSFVMLO-DEOSSOPVSA-N 0 3 430.951 4.687 40 0 IJABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000100566906 557264810 /nfs/dbraw/zinc/26/48/10/557264810.db2.gz ZTJMXKJXJKCFMB-VABKMULXSA-N 0 3 448.906 4.708 40 0 IJABHN O=C(NCCCN1CCCc2ccccc21)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222597641 557358996 /nfs/dbraw/zinc/35/89/96/557358996.db2.gz SZEYBJUGBGQYNT-JOCHJYFZSA-N 0 3 426.004 4.511 40 0 IJABHN Cc1cc(NC(=S)NCc2ccc(OC3CCN(C)CC3)cc2)ccc1Br ZINC000225772539 557775589 /nfs/dbraw/zinc/77/55/89/557775589.db2.gz QZRFSBLNNXREBU-UHFFFAOYSA-N 0 3 448.430 4.717 40 0 IJABHN CCNc1nc(C)c(C(=O)N2[C@@H]3CCC[C@@H]4N(C)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)s1 ZINC000257203877 568666916 /nfs/dbraw/zinc/66/69/16/568666916.db2.gz ASAYJJNBFXIBHN-KHMSYKNRSA-N 0 3 438.641 4.582 40 0 IJABHN C[C@H](C(=O)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1)N1CCCC1 ZINC000257205198 568667618 /nfs/dbraw/zinc/66/76/18/568667618.db2.gz AYAZAOWZMJGPJJ-GOSISDBHSA-N 0 3 445.529 4.882 40 0 IJABHN Cc1nc2cc([C@@H]3CCCN3CC3CCCCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257239317 568683479 /nfs/dbraw/zinc/68/34/79/568683479.db2.gz HOTMWWJVZVQFDF-DEOSSOPVSA-N 0 3 437.632 4.522 40 0 IJABHN Cc1nc2cc([C@H]3CCCN3CC3CCCCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257330718 568724769 /nfs/dbraw/zinc/72/47/69/568724769.db2.gz XPPUJMIOJXXUEF-XMMPIXPASA-N 0 3 437.632 4.618 40 0 IJABHN c1ccc(COc2cccc(CN3CCOC[C@@H](Cc4cccc5cccnc54)C3)c2)nc1 ZINC000257338031 568727862 /nfs/dbraw/zinc/72/78/62/568727862.db2.gz YVNCIUHWKLMRNQ-QHCPKHFHSA-N 0 3 439.559 4.900 40 0 IJABHN COc1ccc(CN2CCC[C@](Cc3cc(-c4ccc(C)cc4)no3)(C(=O)N(C)C)C2)cc1 ZINC000057775171 568909202 /nfs/dbraw/zinc/90/92/02/568909202.db2.gz PSNZRVSVMQZYJE-HHHXNRCGSA-N 0 3 447.579 4.572 40 0 IJABHN CCOc1ccc(CN2CCC[C@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)cc1OC ZINC000227306691 569183154 /nfs/dbraw/zinc/18/31/54/569183154.db2.gz LXHUPULAFYZTFM-HFZDXXHNSA-N 0 3 439.600 4.605 40 0 IJABHN Cc1ccc(CN2CCC(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)cc1 ZINC000009063185 569219819 /nfs/dbraw/zinc/21/98/19/569219819.db2.gz WBNJDGYLVWSNNU-UHFFFAOYSA-N 0 3 445.529 4.575 40 0 IJABHN CC(C)Oc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000019450864 569226567 /nfs/dbraw/zinc/22/65/67/569226567.db2.gz PAXPZFAIOXDMHG-ATIYNZHBSA-N 0 3 444.579 4.647 40 0 IJABHN Cc1nn(-c2ccc(F)cc2)c(C)c1CN1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1 ZINC000019713128 569235485 /nfs/dbraw/zinc/23/54/85/569235485.db2.gz XBCPFRXNPNLXGR-CLJLJLNGSA-N 0 3 446.570 4.784 40 0 IJABHN CN(C)c1nc2ccccc2cc1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1 ZINC000019713183 569235501 /nfs/dbraw/zinc/23/55/01/569235501.db2.gz MYALTACRNSNXLN-FTJBHMTQSA-N 0 3 442.607 4.847 40 0 IJABHN COc1ccc(NC(=O)c2cnc([C@H]3CCN(Cc4ccc(C)c(C)c4)C3)nc2C)cc1 ZINC000019766205 569239352 /nfs/dbraw/zinc/23/93/52/569239352.db2.gz DHYIEXMPHVNWRH-NRFANRHFSA-N 0 3 430.552 4.652 40 0 IJABHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4cccc(Cl)c4)C(=O)[C@@]32C)cc1 ZINC000009137062 569293967 /nfs/dbraw/zinc/29/39/67/569293967.db2.gz MVXQDENMQVYYIK-TZBSWOFLSA-N 0 3 448.906 4.790 40 0 IJABHN COCCN1CC=CC[C@@H](C2CCN(Cc3ccc(-c4ccccc4OC)cc3)CC2)C1=O ZINC000019698454 569326869 /nfs/dbraw/zinc/32/68/69/569326869.db2.gz NWQYKQJNVGMKHA-SANMLTNESA-N 0 3 448.607 4.625 40 0 IJABHN COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3ccccc3)CC2)cc1 ZINC000019756743 569328553 /nfs/dbraw/zinc/32/85/53/569328553.db2.gz DKIJEQKBLZDVTF-UHFFFAOYSA-N 0 3 430.552 4.501 40 0 IJABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc2ccccc21 ZINC000020634807 520478199 /nfs/dbraw/zinc/47/81/99/520478199.db2.gz GEJXANOZCRNCJN-NRFANRHFSA-N 0 3 428.488 4.669 40 0 IJABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000020634798 520478513 /nfs/dbraw/zinc/47/85/13/520478513.db2.gz ZDMARLANJIAGAU-MRXNPFEDSA-N 0 3 447.318 4.822 40 0 IJABHN CCOc1ccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OCC ZINC000044905201 520998095 /nfs/dbraw/zinc/99/80/95/520998095.db2.gz ZOTPOBQQQYHBCU-UHFFFAOYSA-N 0 3 444.575 4.972 40 0 IJABHN COc1cccc(CN2CCC3(C[C@@]4(CO3)Nc3cc(OC)ccc3-n3cccc34)CC2)c1 ZINC000012086180 556399754 /nfs/dbraw/zinc/39/97/54/556399754.db2.gz WMXFBYQUDCKCEX-MHZLTWQESA-N 0 3 445.563 4.570 40 0 IJABHN O=C(NC1CCCCC1)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039753265 556438706 /nfs/dbraw/zinc/43/87/06/556438706.db2.gz KINKUKHOZMIDMA-UHFFFAOYSA-N 0 3 437.559 4.739 40 0 IJABHN CCOc1cc(CNC2CCCC2)c(Br)cc1OCC(=O)Nc1ccccc1 ZINC000036612794 556511069 /nfs/dbraw/zinc/51/10/69/556511069.db2.gz AWWZAZPUSFKCHW-UHFFFAOYSA-N 0 3 447.373 4.898 40 0 IJABHN CCCCNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030939645 556515961 /nfs/dbraw/zinc/51/59/61/556515961.db2.gz DKCLYHLKTCFAGC-IBGZPJMESA-N 0 3 427.976 4.721 40 0 IJABHN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044855614 556672009 /nfs/dbraw/zinc/67/20/09/556672009.db2.gz XJPNKAZWDHNSLG-XMSQKQJNSA-N 0 3 442.987 4.979 40 0 IJABHN O=C(Cc1ccc(F)cc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000257223906 556708298 /nfs/dbraw/zinc/70/82/98/556708298.db2.gz DZKJCPJXMYSFBE-QFQXNSOFSA-N 0 3 435.518 4.672 40 0 IJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@H](c2nccnc2Oc2ccccc2)C1 ZINC000257252537 556711619 /nfs/dbraw/zinc/71/16/19/556711619.db2.gz JVDFVLXNANAQPG-QFIPXVFZSA-N 0 3 442.563 4.885 40 0 IJABHN Cn1cc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)c2ccccc21 ZINC000019290370 556730615 /nfs/dbraw/zinc/73/06/15/556730615.db2.gz IDRXPKCDOQGFRD-FTJBHMTQSA-N 0 3 442.559 4.716 40 0 IJABHN O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019370891 556748319 /nfs/dbraw/zinc/74/83/19/556748319.db2.gz SSJNHGFHPCFYQM-YIXXDRMTSA-N 0 3 431.555 4.923 40 0 IJABHN Cc1cc(CN2CCC([C@@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)cc(C)c1O ZINC000019569965 556810049 /nfs/dbraw/zinc/81/00/49/556810049.db2.gz WTEHUXSZHUNQNB-HHHXNRCGSA-N 0 3 443.591 4.716 40 0 IJABHN COc1ccccc1NC(=O)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019571329 556811665 /nfs/dbraw/zinc/81/16/65/556811665.db2.gz MWMAGOJDEXNTNA-IBGZPJMESA-N 0 3 442.519 4.863 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC([C@@H]3CCCCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000019745030 556891769 /nfs/dbraw/zinc/89/17/69/556891769.db2.gz ZAQXZJQFEZQBRZ-SANMLTNESA-N 0 3 433.596 4.686 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330482 556905838 /nfs/dbraw/zinc/90/58/38/556905838.db2.gz QXFYHGYGINJKEF-HOFKKMOUSA-N 0 3 443.591 4.711 40 0 IJABHN CC(C)C(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3cc4ccccc4o3)CC2)o1 ZINC000072344931 556916045 /nfs/dbraw/zinc/91/60/45/556916045.db2.gz FLARFIVGWWOCSG-OAQYLSRUSA-N 0 3 436.556 4.905 40 0 IJABHN CNc1ncccc1CN1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072359134 556932105 /nfs/dbraw/zinc/93/21/05/556932105.db2.gz KRXVCPOLBFCJGW-QGZVFWFLSA-N 0 3 427.474 4.979 40 0 IJABHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019962153 556955650 /nfs/dbraw/zinc/95/56/50/556955650.db2.gz VQAGIGPCEIKNGG-JOCHJYFZSA-N 0 3 444.922 4.849 40 0 IJABHN COc1cc(CN2CCC[C@H](c3nnc(-c4ccc(C)s4)o3)C2)cc(OC)c1OC ZINC000072390102 556960116 /nfs/dbraw/zinc/96/01/16/556960116.db2.gz CNDRJTQTRFZJLG-INIZCTEOSA-N 0 3 429.542 4.512 40 0 IJABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccc(OCc4cccc(F)c4)cc3)C[C@H]21 ZINC000072392539 556963558 /nfs/dbraw/zinc/96/35/58/556963558.db2.gz IGNADAJRPWLDOA-RWUBSVTLSA-N 0 3 432.539 4.838 40 0 IJABHN CC(C)(C)OC(=O)N1CCN(c2ccc([C@@H]3CCCCN3Cc3ccccc3)cn2)CC1 ZINC000072216428 557343015 /nfs/dbraw/zinc/34/30/15/557343015.db2.gz OJWANKZRSCRGDO-QHCPKHFHSA-N 0 3 436.600 4.866 40 0 IJABHN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223287459 557456072 /nfs/dbraw/zinc/45/60/72/557456072.db2.gz NLZCSNGGIMALJO-YADHBBJMSA-N 0 3 441.000 4.838 40 0 IJABHN Cc1ccc(-c2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1Cl ZINC000223288080 557456212 /nfs/dbraw/zinc/45/62/12/557456212.db2.gz CVNGFBDETFPBRX-VXKWHMMOSA-N 0 3 441.000 4.838 40 0 IJABHN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000223887388 557525273 /nfs/dbraw/zinc/52/52/73/557525273.db2.gz GLCNJIUVHQGSAF-DNQXCXABSA-N 0 3 440.576 4.510 40 0 IJABHN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)ccc1F ZINC000224891996 557663729 /nfs/dbraw/zinc/66/37/29/557663729.db2.gz XTCXLTCIGCBUSI-XZOQPEGZSA-N 0 3 429.524 4.892 40 0 IJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)n1 ZINC000257200847 568665487 /nfs/dbraw/zinc/66/54/87/568665487.db2.gz AFCRJHBQHSJFAY-GOSISDBHSA-N 0 3 446.526 4.882 40 0 IJABHN Cc1nc2cc([C@H]3CCCN3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257217284 568673132 /nfs/dbraw/zinc/67/31/32/568673132.db2.gz CYJFUOMKNFMOTI-PXDATVDWSA-N 0 3 449.643 4.831 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@@H](Cc2ccc3ccoc3c2)C1 ZINC000257237458 568682491 /nfs/dbraw/zinc/68/24/91/568682491.db2.gz HGOFCZLYRYZGCI-QFIPXVFZSA-N 0 3 432.564 4.750 40 0 IJABHN CN(C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccnc3ccccc23)C1)C1CCCCC1 ZINC000257295614 568709117 /nfs/dbraw/zinc/70/91/17/568709117.db2.gz QZEBGQFXRGOIOZ-FQEVSTJZSA-N 0 3 431.584 4.742 40 0 IJABHN Cc1cnc2c(C(=O)N3CCC[C@H](c4cc(Nc5ccc(F)cc5)cc(C)n4)C3)cnn2c1 ZINC000257299028 568710954 /nfs/dbraw/zinc/71/09/54/568710954.db2.gz ROKCELDLOZYWEO-SFHVURJKSA-N 0 3 444.514 4.644 40 0 IJABHN Cc1cc2c(cc1CN1CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C1)OCO2 ZINC000019125566 569226192 /nfs/dbraw/zinc/22/61/92/569226192.db2.gz IZPLPUKKDKKGOC-MHECFPHRSA-N 0 3 449.576 4.564 40 0 IJABHN Cc1nc([C@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)ncc1C(=O)N1CCCCC1 ZINC000019763353 569238125 /nfs/dbraw/zinc/23/81/25/569238125.db2.gz ZAGZVZIJUGTULT-NRFANRHFSA-N 0 3 448.611 4.504 40 0 IJABHN CCOc1ccc(CN2CCC(c3ncc(C(=O)Nc4ccc(F)cc4)c(C)n3)CC2)cc1 ZINC000019763891 569238225 /nfs/dbraw/zinc/23/82/25/569238225.db2.gz TXSNQRJQPQFSMM-UHFFFAOYSA-N 0 3 448.542 4.955 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000008763823 569290307 /nfs/dbraw/zinc/29/03/07/569290307.db2.gz MPNFCRMMSSJXAV-HBMCJLEFSA-N 0 3 438.405 4.757 40 0 IJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000009233103 569294644 /nfs/dbraw/zinc/29/46/44/569294644.db2.gz GHKRNQYQZXZPOV-GVAUOCQISA-N 0 3 442.515 4.917 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(F)c4)[C@@H]3C2=O)cc1 ZINC000009290688 569295120 /nfs/dbraw/zinc/29/51/20/569295120.db2.gz WMNHFELYSHGHNV-VXNXHJTFSA-N 0 3 446.478 4.666 40 0 IJABHN CCN(Cc1nc2ccccc2n1CC)[C@@H]1CCO[C@H](c2ccc(C(=O)NC(C)C)cc2)C1 ZINC000019712698 569327691 /nfs/dbraw/zinc/32/76/91/569327691.db2.gz GRRFJSGMZMFORO-RDGATRHJSA-N 0 3 448.611 4.937 40 0 IJABHN Cc1noc(C)c1Cn1cc2c3c1cccc3[C@H](CC(C)C)N[C@H](C(=O)NC1CCC1)C2 ZINC000049171796 291393171 /nfs/dbraw/zinc/39/31/71/291393171.db2.gz DRQXWEFTHRICMU-GOTSBHOMSA-N 0 3 434.584 4.565 40 0 biogenic,in-vitro IJABHN OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(C2CCC(F)(F)CC2)CC1 ZINC000225425362 291393583 /nfs/dbraw/zinc/39/35/83/291393583.db2.gz APGCGLJOJZWZSG-UHFFFAOYSA-N 0 3 447.595 4.563 40 0 biogenic,in-vitro IJABHN Fc1ccc(COc2ccccc2CNCCCSc2nnnn2-c2ccccc2)cc1 ZINC000022108848 526343449 /nfs/dbraw/zinc/34/34/49/526343449.db2.gz MAACKIGKCYRUFK-UHFFFAOYSA-N 0 3 449.555 4.652 40 0 IJABHN c1coc(Cn2c(COc3ccc4ccccc4c3)nnc2SCCN2CCCC2)c1 ZINC000035313002 526568429 /nfs/dbraw/zinc/56/84/29/526568429.db2.gz SUXZYOLTJIKCMY-UHFFFAOYSA-N 0 3 434.565 4.840 40 0 IJABHN Clc1ccc(OCc2nnc(SCCN3CCCC3)n2Cc2ccccc2)cc1 ZINC000001356159 555691883 /nfs/dbraw/zinc/69/18/83/555691883.db2.gz WKCGBAKGMAAALY-UHFFFAOYSA-N 0 3 428.989 4.747 40 0 IJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)CC2)c1 ZINC000039744669 556438127 /nfs/dbraw/zinc/43/81/27/556438127.db2.gz QKCDHSJEMFEUJP-UHFFFAOYSA-N 0 3 433.596 4.862 40 0 IJABHN CCCCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030939643 556515849 /nfs/dbraw/zinc/51/58/49/556515849.db2.gz DKCLYHLKTCFAGC-LJQANCHMSA-N 0 3 427.976 4.721 40 0 IJABHN CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030942503 556516296 /nfs/dbraw/zinc/51/62/96/556516296.db2.gz ULDYQHIUMJDRLN-SFHVURJKSA-N 0 3 427.976 4.719 40 0 IJABHN CC1CCN(Cc2ccc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)cc2)CC1 ZINC000030945178 556516923 /nfs/dbraw/zinc/51/69/23/556516923.db2.gz XOTPZVDANUSEIH-UHFFFAOYSA-N 0 3 445.529 4.900 40 0 IJABHN Cc1nccn1-c1ccccc1CNC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000038753137 556616227 /nfs/dbraw/zinc/61/62/27/556616227.db2.gz NSACPUHGCUGUGL-UHFFFAOYSA-N 0 3 436.559 4.669 40 0 IJABHN CC[C@H](CO)NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000016611359 556618152 /nfs/dbraw/zinc/61/81/52/556618152.db2.gz PRDZLRDDMPKQLM-MRXNPFEDSA-N 0 3 428.754 4.551 40 0 IJABHN O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038854548 556625404 /nfs/dbraw/zinc/62/54/04/556625404.db2.gz XPMZDGQWYZSBNF-HXUWFJFHSA-N 0 3 437.559 4.739 40 0 IJABHN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038855428 556625787 /nfs/dbraw/zinc/62/57/87/556625787.db2.gz DEEQJZBFFZPVSN-PKOBYXMFSA-N 0 3 427.976 4.719 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000101026630 556644310 /nfs/dbraw/zinc/64/43/10/556644310.db2.gz DGYIORVYEFFGSJ-HKBOAZHASA-N 0 3 438.405 4.757 40 0 IJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000101178747 556651398 /nfs/dbraw/zinc/65/13/98/556651398.db2.gz GHKRNQYQZXZPOV-SDHSZQHLSA-N 0 3 442.515 4.917 40 0 IJABHN CC(C)(C)C(=O)N[C@@H](C[C@H]1CCCCN1Cc1ccc2c(c1)OCCO2)c1ccccn1 ZINC000019081732 556696449 /nfs/dbraw/zinc/69/64/49/556696449.db2.gz WKRLUOBMVGYSDK-IRLDBZIGSA-N 0 3 437.584 4.501 40 0 IJABHN Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@@H](O)c3cn(C)c4ccccc34)CC1)O2 ZINC000019125724 556703292 /nfs/dbraw/zinc/70/32/92/556703292.db2.gz JIISLOFLWBEPRP-XZOQPEGZSA-N 0 3 440.971 4.524 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@H](Cc2cccc3occc32)C1 ZINC000257343584 556713035 /nfs/dbraw/zinc/71/30/35/556713035.db2.gz ZTOPOWQVQOKFCY-OAQYLSRUSA-N 0 3 432.564 4.750 40 0 IJABHN CC1CCN(CCNC(=O)C2(Cc3cccc(-c4cccc(F)c4)c3)CCOCC2)CC1 ZINC000257307239 556718047 /nfs/dbraw/zinc/71/80/47/556718047.db2.gz SXUUCRRIQOKZFG-UHFFFAOYSA-N 0 3 438.587 4.680 40 0 IJABHN COc1cc(CN2CCC(O)(c3cccc(C)c3)CC2)ccc1OCc1c(C)noc1C ZINC000019234518 556718752 /nfs/dbraw/zinc/71/87/52/556718752.db2.gz ZPAXIIYXACZNTQ-UHFFFAOYSA-N 0 3 436.552 4.671 40 0 IJABHN Cc1cccc(CN2CCC[C@@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)n1 ZINC000019236185 556720827 /nfs/dbraw/zinc/72/08/27/556720827.db2.gz YNOPVAQXLUOOFQ-NDEPHWFRSA-N 0 3 442.607 4.802 40 0 IJABHN FC(F)(F)c1cc(-c2cccs2)nc2cc([C@@H]3CCN(Cc4ccncc4)C3)nn21 ZINC000019344231 556742027 /nfs/dbraw/zinc/74/20/27/556742027.db2.gz OJBRWNKSVQAHEX-OAHLLOKOSA-N 0 3 429.471 4.861 40 0 IJABHN CC(C)Oc1ccc(CN2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)cc1 ZINC000019450586 556761478 /nfs/dbraw/zinc/76/14/78/556761478.db2.gz BNEVWDJBMGQRPP-UHFFFAOYSA-N 0 3 447.501 4.869 40 0 IJABHN C[C@@H](C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000019459242 556766720 /nfs/dbraw/zinc/76/67/20/556766720.db2.gz CZQAOFSERGHJRE-NTKDMRAZSA-N 0 3 448.611 4.588 40 0 IJABHN C[C@@H](C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000019459242 556766724 /nfs/dbraw/zinc/76/67/24/556766724.db2.gz CZQAOFSERGHJRE-NTKDMRAZSA-N 0 3 448.611 4.588 40 0 IJABHN C[C@@H](C(=O)N1CCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2)c1ccccc1 ZINC000019459242 556766725 /nfs/dbraw/zinc/76/67/25/556766725.db2.gz CZQAOFSERGHJRE-NTKDMRAZSA-N 0 3 448.611 4.588 40 0 IJABHN CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(C)cc1 ZINC000001325912 556771617 /nfs/dbraw/zinc/77/16/17/556771617.db2.gz GRYRZESPVCYVGI-HSZRJFAPSA-N 0 3 448.636 4.828 40 0 IJABHN CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccccc1 ZINC000001325976 556771885 /nfs/dbraw/zinc/77/18/85/556771885.db2.gz UTAGEUWZEFXQDL-HSZRJFAPSA-N 0 3 448.636 4.828 40 0 IJABHN CCCNC(=O)[C@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccc(C)n2)C1 ZINC000019503559 556775273 /nfs/dbraw/zinc/77/52/73/556775273.db2.gz RDAIIKONXRQEEB-NDEPHWFRSA-N 0 3 442.607 4.803 40 0 IJABHN CCOc1ccc(CN2CC[C@@H](c3cc4nc(CC)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000019522415 556779609 /nfs/dbraw/zinc/77/96/09/556779609.db2.gz AGYZDDYNCANSOZ-MRXNPFEDSA-N 0 3 448.489 4.707 40 0 IJABHN CCOc1ccc(CN2CC[C@H](c3cc4nc(CC)cc(C(F)(F)F)n4n3)C2)cc1OC ZINC000019522416 556779717 /nfs/dbraw/zinc/77/97/17/556779717.db2.gz AGYZDDYNCANSOZ-INIZCTEOSA-N 0 3 448.489 4.707 40 0 IJABHN Cc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccc(Cl)cc3)cc2c1 ZINC000001353351 556781531 /nfs/dbraw/zinc/78/15/31/556781531.db2.gz DFKRQTXFGZUVQJ-UHFFFAOYSA-N 0 3 438.959 4.620 40 0 IJABHN Cc1[nH]c2ccc(F)cc2c1[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2 ZINC000019581412 556819320 /nfs/dbraw/zinc/81/93/20/556819320.db2.gz MQFGQROXBBIDHV-SFTDATJTSA-N 0 3 444.934 4.653 40 0 IJABHN Cn1cc(CN2CCC(c3ccc(C(=O)N4CCCCC4)cn3)CC2)c2cc(F)ccc21 ZINC000019708289 556868713 /nfs/dbraw/zinc/86/87/13/556868713.db2.gz YXJPYYWGUHKACN-UHFFFAOYSA-N 0 3 434.559 4.718 40 0 IJABHN Cc1ncc(CN2CCC(Cc3cc(NCc4ccccc4F)nc(C)n3)CC2)s1 ZINC000019758858 556902634 /nfs/dbraw/zinc/90/26/34/556902634.db2.gz NIHNQDUJJLAFIG-UHFFFAOYSA-N 0 3 425.577 4.756 40 0 IJABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1ccc(OC)c(OC)c1 ZINC000072370599 556935775 /nfs/dbraw/zinc/93/57/75/556935775.db2.gz PMOKZHHFBMGGRY-SFHVURJKSA-N 0 3 438.593 4.875 40 0 IJABHN CCOc1ccc(CN2CCC(c3ccc(Nc4ccc(F)cn4)cn3)CC2)cc1CO ZINC000072374333 556947993 /nfs/dbraw/zinc/94/79/93/556947993.db2.gz CDGMKDSGTKZIGP-UHFFFAOYSA-N 0 3 436.531 4.630 40 0 IJABHN OCCCn1cc(CN2CCC[C@@H]2c2cccc(Nc3ccccn3)n2)c2ccccc21 ZINC000072375757 556953109 /nfs/dbraw/zinc/95/31/09/556953109.db2.gz WDICLCNBTJKFNQ-XMMPIXPASA-N 0 3 427.552 4.894 40 0 IJABHN O=C(c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1cccnc1)N1CCOCC1 ZINC000072380074 556957619 /nfs/dbraw/zinc/95/76/19/556957619.db2.gz KOQOVIAPZNQERA-NRFANRHFSA-N 0 3 449.620 4.756 40 0 IJABHN COc1ccc(CN2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)c(OC)c1OC ZINC000072390107 556960166 /nfs/dbraw/zinc/96/01/66/556960166.db2.gz XESUEOQOCCTMCM-MRXNPFEDSA-N 0 3 429.542 4.512 40 0 IJABHN COc1ccc(CN2CCC[C@H](c3nnc(-c4ccc(C)s4)o3)C2)c(OC)c1OC ZINC000072390108 556960204 /nfs/dbraw/zinc/96/02/04/556960204.db2.gz XESUEOQOCCTMCM-INIZCTEOSA-N 0 3 429.542 4.512 40 0 IJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000585261921 557197749 /nfs/dbraw/zinc/19/77/49/557197749.db2.gz UMZZXZFHQAHTCM-OAQYLSRUSA-N 0 3 432.543 4.831 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(F)c3)[C@@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102763033 557307520 /nfs/dbraw/zinc/30/75/20/557307520.db2.gz KRABEFAWQGNOTJ-ACRUOGEOSA-N 0 3 440.833 4.669 40 0 IJABHN COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc(C)cc2OC)C1 ZINC000072352277 557387078 /nfs/dbraw/zinc/38/70/78/557387078.db2.gz UUJYJTDDRNIUHN-LJQANCHMSA-N 0 3 438.593 4.584 40 0 IJABHN CCn1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)ccc21 ZINC000225119944 557689360 /nfs/dbraw/zinc/68/93/60/557689360.db2.gz GDTDHGNLLJYMSM-MRXNPFEDSA-N 0 3 429.973 4.587 40 0 IJABHN CC(C)OC(=O)c1cc(N)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225487713 557728704 /nfs/dbraw/zinc/72/87/04/557728704.db2.gz VTIVKTNJPDLVMC-UHFFFAOYSA-N 0 3 429.564 4.746 40 0 IJABHN Cc1cccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCOCC2)c1 ZINC000225566685 557743424 /nfs/dbraw/zinc/74/34/24/557743424.db2.gz RJEKMZWAFLHYAA-UHFFFAOYSA-N 0 3 436.596 4.793 40 0 IJABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCCCC4)on3)C2)c1 ZINC000257226721 568677360 /nfs/dbraw/zinc/67/73/60/568677360.db2.gz FLVQPSSQVUZABF-FQEVSTJZSA-N 0 3 425.573 4.906 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCC[C@H]1c1ccnc(-c2ccccn2)n1 ZINC000257248511 568687877 /nfs/dbraw/zinc/68/78/77/568687877.db2.gz JDYXMZFVKSYCBI-DEOSSOPVSA-N 0 3 427.552 4.502 40 0 IJABHN COc1cccc2[nH]c(C(=O)N3[C@H]4C[C@@]5(C)[C@@H]3CCC[C@H]5N(C)[C@@H]4Cc3ccccc3)cc21 ZINC000257267328 568696519 /nfs/dbraw/zinc/69/65/19/568696519.db2.gz MGUUGYXVKRMEMV-RUNJBCJTSA-N 0 3 443.591 4.875 40 0 IJABHN COc1ccccc1CC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000257312918 568716869 /nfs/dbraw/zinc/71/68/69/568716869.db2.gz UQESDCXLRAISCI-AJTFRIOCSA-N 0 3 447.554 4.542 40 0 IJABHN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)c1 ZINC000019565034 569227084 /nfs/dbraw/zinc/22/70/84/569227084.db2.gz BVIJHVMBGZKGKJ-SQJMNOBHSA-N 0 3 433.527 4.613 40 0 IJABHN COc1ccc(-c2nc(C3CCN(C)CC3)[nH]c2C(=O)N2CCC3(C2)CCCCC3)cc1 ZINC000019698726 569230143 /nfs/dbraw/zinc/23/01/43/569230143.db2.gz QMCONZGMOZMEPU-UHFFFAOYSA-N 0 3 436.600 4.691 40 0 IJABHN Cc1nc([C@H]2CCCN(Cc3cccc(-c4ccc(F)cc4)c3)C2)ncc1C(=O)N(C)C ZINC000019763400 569237978 /nfs/dbraw/zinc/23/79/78/569237978.db2.gz RMAGXIVUHGKFLB-QFIPXVFZSA-N 0 3 432.543 4.673 40 0 IJABHN COc1ccc(NC(=O)c2cnc(C3CCN(Cc4ccccc4C)CC3)nc2C)cc1 ZINC000019763843 569238209 /nfs/dbraw/zinc/23/82/09/569238209.db2.gz AQRNZBHSPMWQOI-UHFFFAOYSA-N 0 3 430.552 4.734 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000009463737 569296481 /nfs/dbraw/zinc/29/64/81/569296481.db2.gz WZGPSKSACMITHU-BDTNDASRSA-N 0 3 434.517 4.588 40 0 IJABHN COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3cccc(F)c3)CC2)cc1 ZINC000019756805 569328610 /nfs/dbraw/zinc/32/86/10/569328610.db2.gz ZGFVJUBGQBICAA-UHFFFAOYSA-N 0 3 448.542 4.640 40 0 IJABHN Cc1ccccc1CN1CCC[C@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019765484 569329136 /nfs/dbraw/zinc/32/91/36/569329136.db2.gz BANHWKKKIDUKLC-QFIPXVFZSA-N 0 3 432.543 4.542 40 0 IJABHN COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4CC(C)(C)C)n3)cn2)cc1 ZINC000049155239 291391346 /nfs/dbraw/zinc/39/13/46/291391346.db2.gz OHXGAPPZTWGSJZ-IBGZPJMESA-N 0 3 435.528 4.576 40 0 biogenic,in-vitro IJABHN CC(=O)NC1(c2ccccc2)CCN(Cc2c3cccnc3[nH]c2-c2cccs2)CC1 ZINC000012219474 519642239 /nfs/dbraw/zinc/64/22/39/519642239.db2.gz OWQGPNCMUIKRHD-UHFFFAOYSA-N 0 3 430.577 4.919 40 0 IJABHN Cc1cc2c(cc1C)OC1(C=C2)CCN(C[C@@H](O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000012188009 525594990 /nfs/dbraw/zinc/59/49/90/525594990.db2.gz QAIDEDHARZAMPU-XMMPIXPASA-N 0 3 432.564 4.626 40 0 IJABHN C[C@@]1(O)CCN(CCCc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)C1CCCC1 ZINC000514289823 556624353 /nfs/dbraw/zinc/62/43/53/556624353.db2.gz OXEZSZCIXIMIHV-SONWIMMPSA-N 0 3 426.626 4.554 40 0 biogenic,in-vitro IJABHN O=C([C@@H]1CCCN(Cc2ccccc2Cl)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038857267 556626063 /nfs/dbraw/zinc/62/60/63/556626063.db2.gz VFKSGVWILBPPRT-LJQANCHMSA-N 0 3 432.395 4.554 40 0 IJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000257203100 556701355 /nfs/dbraw/zinc/70/13/55/556701355.db2.gz AOSCZHVVRCWFFG-AREMUKBSSA-N 0 3 444.554 4.780 40 0 IJABHN COC1(COc2ccc(C)cc2C)CCN(Cc2ccc(OCc3nccn3C)cc2)CC1 ZINC000257213408 556702674 /nfs/dbraw/zinc/70/26/74/556702674.db2.gz CHLPJOKNJKHAFT-UHFFFAOYSA-N 0 3 449.595 4.676 40 0 IJABHN CC(C)Oc1cccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2Cc2ccccc2)c1 ZINC000019450806 556761602 /nfs/dbraw/zinc/76/16/02/556761602.db2.gz HHFQIPUQEODAPK-GYKVFZPVSA-N 0 3 445.607 4.838 40 0 IJABHN CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(C)c1 ZINC000001325922 556771686 /nfs/dbraw/zinc/77/16/86/556771686.db2.gz NRXHZPGMTFOIGB-HSZRJFAPSA-N 0 3 448.636 4.828 40 0 IJABHN CCc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(Cc2ccc(OC)c(CO)c2)CC1 ZINC000019522096 556779212 /nfs/dbraw/zinc/77/92/12/556779212.db2.gz DFFPKZNFAQXKNW-UHFFFAOYSA-N 0 3 449.473 4.685 40 0 IJABHN COc1cccc(CN2CCC([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)c1 ZINC000019564855 556805887 /nfs/dbraw/zinc/80/58/87/556805887.db2.gz WIIBSUYCQLPQBZ-RUZDIDTESA-N 0 3 433.527 4.613 40 0 IJABHN CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN3Cc3ccc4ncccc4c3)c2)cn1 ZINC000019691056 556846946 /nfs/dbraw/zinc/84/69/46/556846946.db2.gz NILYFKHOYWLYSV-SANMLTNESA-N 0 3 437.547 4.697 40 0 IJABHN CN(CCCc1ccccc1)C(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752786 556896438 /nfs/dbraw/zinc/89/64/38/556896438.db2.gz MSKNMYMLRIUXOL-XMMPIXPASA-N 0 3 428.580 4.561 40 0 IJABHN CC(C)NC(=O)c1cc([C@H]2CCN(Cc3c[nH]nc3-c3ccccc3)C2)nc2ccccc21 ZINC000019761891 556905638 /nfs/dbraw/zinc/90/56/38/556905638.db2.gz RCVZYIZEXQPSFU-FQEVSTJZSA-N 0 3 439.563 4.753 40 0 IJABHN CN1CCC(C(=O)N2CCC(c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)CC2)CC1 ZINC000072350409 556920670 /nfs/dbraw/zinc/92/06/70/556920670.db2.gz ROBYDMAKKHATGI-UHFFFAOYSA-N 0 3 445.529 4.739 40 0 IJABHN CCOc1ccc(CN2CCC[C@@H](c3cccc(Nc4nc(C)cc(C)n4)n3)C2)cc1CO ZINC000072376112 556954292 /nfs/dbraw/zinc/95/42/92/556954292.db2.gz GPDZNQAHGLHQOW-OAQYLSRUSA-N 0 3 447.583 4.503 40 0 IJABHN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ccccn1 ZINC000072380084 556957680 /nfs/dbraw/zinc/95/76/80/556957680.db2.gz ZEVNJLKQRCVQTP-HXUWFJFHSA-N 0 3 437.609 4.660 40 0 IJABHN CC(C)Oc1cccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000072398671 556970824 /nfs/dbraw/zinc/97/08/24/556970824.db2.gz PAXPZFAIOXDMHG-GJZUVCINSA-N 0 3 444.579 4.647 40 0 IJABHN COc1ccc(C23C[C@H]4C[C@H](CC(C(=O)NCc5ccccc5CN(C)C)(C4)C2)C3)cc1 ZINC000024647021 557121002 /nfs/dbraw/zinc/12/10/02/557121002.db2.gz RODZRBDTMWRJGK-LHUUVIGISA-N 0 3 432.608 4.911 40 0 IJABHN CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102760874 557132256 /nfs/dbraw/zinc/13/22/56/557132256.db2.gz JDGAMABBGGXDNF-BHIFYINESA-N 0 3 434.492 4.599 40 0 IJABHN Cc1cccc(CN2CCC(C(=O)N(C)Cc3nc(-c4ccccc4Cl)no3)CC2)c1 ZINC000219407508 557243174 /nfs/dbraw/zinc/24/31/74/557243174.db2.gz PHBXYMHHCBLVPO-UHFFFAOYSA-N 0 3 438.959 4.569 40 0 IJABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223283532 557455561 /nfs/dbraw/zinc/45/55/61/557455561.db2.gz YGCVEORDMDSQRL-NHCUHLMSSA-N 0 3 426.973 4.529 40 0 IJABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223283348 557455606 /nfs/dbraw/zinc/45/56/06/557455606.db2.gz YGCVEORDMDSQRL-SFTDATJTSA-N 0 3 426.973 4.529 40 0 IJABHN O=C([C@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2cc(Br)ccc21 ZINC000225903874 557790102 /nfs/dbraw/zinc/79/01/02/557790102.db2.gz NLQVFHNDNRZYJA-KRWDZBQOSA-N 0 3 433.777 4.904 40 0 IJABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)on3)C2)c1 ZINC000257237748 568682800 /nfs/dbraw/zinc/68/28/00/568682800.db2.gz HHZCIYPUPFOWOL-CSCIYHFESA-N 0 3 449.595 4.761 40 0 IJABHN Cc1nccn1CCCC(=O)N1CCC[C@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257259392 568692713 /nfs/dbraw/zinc/69/27/13/568692713.db2.gz KYEFFLWEQFSJHC-FQEVSTJZSA-N 0 3 435.547 4.964 40 0 IJABHN Cc1nc([C@H]2CCN(Cc3cccc(F)c3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257260008 568692902 /nfs/dbraw/zinc/69/29/02/568692902.db2.gz LAZDUVPCSLEOGC-IBGZPJMESA-N 0 3 436.506 4.542 40 0 IJABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4c(OC)cccc4OC)C3)c2)c1 ZINC000257271697 568698486 /nfs/dbraw/zinc/69/84/86/568698486.db2.gz MZKJFRKHQBUGJE-GOSISDBHSA-N 0 3 447.535 4.789 40 0 IJABHN COc1cc(C)c(C[NH+]2CCC(c3cncc([N-]c4nc(C)cc(C)n4)n3)CC2)c(C)c1C ZINC000257294932 568709011 /nfs/dbraw/zinc/70/90/11/568709011.db2.gz QWIMWRJEXFPGBT-UHFFFAOYSA-N 0 3 446.599 4.941 40 0 IJABHN Cc1cccc(Cc2cncc([C@@H]3CCCN3C(=O)c3ccccc3CN3CCCC3)n2)c1 ZINC000257304093 568713071 /nfs/dbraw/zinc/71/30/71/568713071.db2.gz SKAGCXWLDGCUKV-MHZLTWQESA-N 0 3 440.591 4.949 40 0 IJABHN COCc1cc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)ccc1OC(C)C ZINC000257305523 568713901 /nfs/dbraw/zinc/71/39/01/568713901.db2.gz SQKQCTPRBKIYBD-UHFFFAOYSA-N 0 3 447.583 4.928 40 0 IJABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cnc(N(C)C)nc4C)C3)c2)cc1 ZINC000257311380 568716018 /nfs/dbraw/zinc/71/60/18/568716018.db2.gz UJERSYJWNWEGHR-FQEVSTJZSA-N 0 3 444.583 4.626 40 0 IJABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCC[C@H](Cc3cccc4n[nH]cc43)CC2)CC1 ZINC000257312267 568716512 /nfs/dbraw/zinc/71/65/12/568716512.db2.gz UNCLZWOPLJLKQP-QFIPXVFZSA-N 0 3 444.623 4.689 40 0 IJABHN C/C(=C\c1ccccc1)CN1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000019014395 569226103 /nfs/dbraw/zinc/22/61/03/569226103.db2.gz RVMWWVHTKRNJOS-XIPGCIFSSA-N 0 3 426.564 4.763 40 0 IJABHN COc1cc(C)ccc1CN1CC[C@](Cc2cc(C3CCCCC3)no2)(C(=O)N(C)C)C1 ZINC000019739230 569236559 /nfs/dbraw/zinc/23/65/59/569236559.db2.gz LFQMXPDQTYLCFV-AREMUKBSSA-N 0 3 439.600 4.562 40 0 IJABHN Cc1nc([C@@H]2CCN(Cc3ccc4ncccc4c3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019757850 569237264 /nfs/dbraw/zinc/23/72/64/569237264.db2.gz QOFRMZSZEVBUNP-HXUWFJFHSA-N 0 3 441.510 4.714 40 0 IJABHN Cc1nc([C@H]2CCCN(Cc3ccccc3-c3ccccc3F)C2)ncc1C(=O)N(C)C ZINC000019763070 569237891 /nfs/dbraw/zinc/23/78/91/569237891.db2.gz IZIBCGCJWZEDLK-FQEVSTJZSA-N 0 3 432.543 4.673 40 0 IJABHN CNc1nc([C@H]2CCCCN2Cc2ccccc2-c2ccccc2OC)nc2c1CNCC2 ZINC000019710340 569327483 /nfs/dbraw/zinc/32/74/83/569327483.db2.gz QWVMQBYLMQHOKN-XMMPIXPASA-N 0 3 443.595 4.567 40 0 IJABHN C/C(=C\c1ccccc1)CN1CCC(Cc2nn(C)cc2C(=O)NCc2ccccc2)CC1 ZINC000019756390 569328541 /nfs/dbraw/zinc/32/85/41/569328541.db2.gz MVPHHKNCNPXJPC-OQKWZONESA-N 0 3 442.607 4.708 40 0 IJABHN O=C1[C@@H]2C[C@@H](CN2C2CCC2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111954 291393652 /nfs/dbraw/zinc/39/36/52/291393652.db2.gz WCMVKPSKRUORCG-ICSRJNTNSA-N 0 3 432.442 4.506 40 0 biogenic,in-vitro IJABHN CCOc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccccc1Cl ZINC000022074132 520706353 /nfs/dbraw/zinc/70/63/53/520706353.db2.gz GGDLTHZBXJYKKM-UHFFFAOYSA-N 0 3 442.781 4.941 40 0 IJABHN CCOc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000022074130 520707451 /nfs/dbraw/zinc/70/74/51/520707451.db2.gz QCNDWHZGNXYWLN-UHFFFAOYSA-N 0 3 442.781 4.941 40 0 IJABHN COc1ccc(-c2cccc(CN3CCC([C@@H](NC(C)=O)c4ccccn4)CC3)c2)cc1 ZINC000019020571 523140862 /nfs/dbraw/zinc/14/08/62/523140862.db2.gz OGTBHVGRZZFYOF-HHHXNRCGSA-N 0 3 429.564 4.847 40 0 IJABHN O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030941525 556516177 /nfs/dbraw/zinc/51/61/77/556516177.db2.gz AKUQGGYHKCKNHJ-FQEVSTJZSA-N 0 3 439.987 4.817 40 0 IJABHN CCOc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OCc1ccccc1F ZINC000016688715 556626726 /nfs/dbraw/zinc/62/67/26/556626726.db2.gz ABQMCPGNFAMOIZ-KRWDZBQOSA-N 0 3 438.337 4.835 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000013513826 556667308 /nfs/dbraw/zinc/66/73/08/556667308.db2.gz QBIYPRGFEDEOSX-SDHOMARFSA-N 0 3 442.515 4.835 40 0 IJABHN Cc1noc(C)c1COc1ccc(CN(C)C[C@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000257331904 556705938 /nfs/dbraw/zinc/70/59/38/556705938.db2.gz XUTSSLLLSHVEBF-QHCPKHFHSA-N 0 3 447.579 4.935 40 0 IJABHN COc1ccccc1CN1CCC[C@@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000019236843 556721568 /nfs/dbraw/zinc/72/15/68/556721568.db2.gz GVFQLIZOLGYTFV-ATIYNZHBSA-N 0 3 429.564 4.782 40 0 IJABHN O=C(NCc1cccc(F)c1)c1cc([C@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019376085 556751780 /nfs/dbraw/zinc/75/17/80/556751780.db2.gz RPIWKABZGXLTAV-FQEVSTJZSA-N 0 3 444.510 4.672 40 0 IJABHN COc1cccc(CN2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)c1OC ZINC000019450338 556761348 /nfs/dbraw/zinc/76/13/48/556761348.db2.gz DZPFAOGPUJIFKO-UHFFFAOYSA-N 0 3 447.583 4.756 40 0 IJABHN CC(C)Oc1ccc(CN2CCC([C@H](NC(=O)c3ccccn3)c3ccccn3)CC2)cc1 ZINC000019450600 556761561 /nfs/dbraw/zinc/76/15/61/556761561.db2.gz GSDNGJBNYBGPSZ-SANMLTNESA-N 0 3 444.579 4.647 40 0 IJABHN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2ccc(OC)c(CO)c2)C1 ZINC000019522013 556779037 /nfs/dbraw/zinc/77/90/37/556779037.db2.gz JUSLJYKMPXBNHA-OAHLLOKOSA-N 0 3 449.473 4.685 40 0 IJABHN COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(Cc4ccccc4F)C[C@@H]32)cc1 ZINC000019557756 556799785 /nfs/dbraw/zinc/79/97/85/556799785.db2.gz AJLJHYAXYCFPMO-RGSZASNESA-N 0 3 444.550 4.965 40 0 IJABHN COc1cccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1OC ZINC000019568910 556808906 /nfs/dbraw/zinc/80/89/06/556808906.db2.gz ZWLQZTTUAMQSDP-AWEZNQCLSA-N 0 3 435.446 4.947 40 0 IJABHN COCCOc1cccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568904 556809016 /nfs/dbraw/zinc/80/90/16/556809016.db2.gz PZZLJZHHCCYFHU-KRWDZBQOSA-N 0 3 449.473 4.955 40 0 IJABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019568937 556809128 /nfs/dbraw/zinc/80/91/28/556809128.db2.gz XJPMIMWIIYHBCB-CJFMBICVSA-N 0 3 433.527 4.613 40 0 IJABHN COc1cccc2cc(CN3CCC[C@H](c4cc(N(C)C)nc(-c5cccnc5)n4)C3)oc21 ZINC000019584428 556821987 /nfs/dbraw/zinc/82/19/87/556821987.db2.gz IYKJSCOHPZVIDU-FQEVSTJZSA-N 0 3 443.551 4.739 40 0 IJABHN C[C@H]1CCC=C2C[C@H]3OC(=O)[C@H](CN4CC=C(c5ccc(Cl)cc5)CC4)[C@H]3[C@@H](O)[C@@]21C ZINC000008917999 556851379 /nfs/dbraw/zinc/85/13/79/556851379.db2.gz ZEJRMEFSBLSGKA-KOVUFKRHSA-N 0 3 441.999 4.714 40 0 IJABHN COc1ccc(CCN2CCC([C@@H]3CC=CCN(Cc4cccc(OC)c4)C3=O)CC2)cc1 ZINC000019698348 556856421 /nfs/dbraw/zinc/85/64/21/556856421.db2.gz QCIKZAUUYDGQFQ-MHZLTWQESA-N 0 3 448.607 4.563 40 0 IJABHN CC(C)C(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3cc4ccccc4o3)CC2)o1 ZINC000072344932 556916191 /nfs/dbraw/zinc/91/61/91/556916191.db2.gz FLARFIVGWWOCSG-NRFANRHFSA-N 0 3 436.556 4.905 40 0 IJABHN Cc1cc(C)n2ncc(CN3CCCCC[C@H]3Cc3c4ccccc4sc3C(N)=O)c2n1 ZINC000072370690 556935917 /nfs/dbraw/zinc/93/59/17/556935917.db2.gz QGCKXTWQBUKZIF-IBGZPJMESA-N 0 3 447.608 4.647 40 0 IJABHN COCc1cc(CN2CCC[C@@H](c3cccc(Nc4ncccn4)n3)C2)ccc1OC(C)C ZINC000072376120 556954247 /nfs/dbraw/zinc/95/42/47/556954247.db2.gz UDODKVNPNSKJEI-OAQYLSRUSA-N 0 3 447.583 4.928 40 0 IJABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)C3CCCC3)[n-]c2=O)C1 ZINC000072398783 556970575 /nfs/dbraw/zinc/97/05/75/556970575.db2.gz QLOBMSMQOHMTDO-ZEQRLZLVSA-N 0 3 448.611 4.586 40 0 IJABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)[C@@H](c3ccccc3)C3CCCC3)[n-]c2=O)C1 ZINC000072398783 556970578 /nfs/dbraw/zinc/97/05/78/556970578.db2.gz QLOBMSMQOHMTDO-ZEQRLZLVSA-N 0 3 448.611 4.586 40 0 IJABHN N=C(Nc1ccc(Cl)cc1)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1 ZINC000020555635 557121993 /nfs/dbraw/zinc/12/19/93/557121993.db2.gz RNWNQZZGZQYANO-UHFFFAOYSA-N 0 3 442.957 4.784 40 0 IJABHN [NH2+]=C(Nc1ccc(Cl)cc1)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[n-]1 ZINC000020555635 557121996 /nfs/dbraw/zinc/12/19/96/557121996.db2.gz RNWNQZZGZQYANO-UHFFFAOYSA-N 0 3 442.957 4.784 40 0 IJABHN CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000102759768 557132171 /nfs/dbraw/zinc/13/21/71/557132171.db2.gz YHWRGPPHBFCXQM-XPWALMASSA-N 0 3 448.906 4.790 40 0 IJABHN COc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NCC2CC2)c2ccccc2O3)cc1 ZINC000096053102 557166469 /nfs/dbraw/zinc/16/64/69/557166469.db2.gz QLTJJKWNKDLORF-JOCHJYFZSA-N 0 3 434.580 4.512 40 0 IJABHN Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@@H](c2[nH]ncc2-c2cccc(F)c2)C1 ZINC000585261858 557197362 /nfs/dbraw/zinc/19/73/62/557197362.db2.gz VVFACWPHCLGONG-OAQYLSRUSA-N 0 3 443.526 4.789 40 0 IJABHN CN1CCC(Oc2ccc(NC(=O)CCCN3c4cccc5cccc(c45)C3=O)cc2)CC1 ZINC000219475669 557252597 /nfs/dbraw/zinc/25/25/97/557252597.db2.gz ATQYWMHMPAOJLS-UHFFFAOYSA-N 0 3 443.547 4.692 40 0 IJABHN CC(=O)N1Cc2ccccc2O[C@@H](C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000057773775 557263360 /nfs/dbraw/zinc/26/33/60/557263360.db2.gz VFNLPSGPYHIUKZ-HSZRJFAPSA-N 0 3 448.485 4.607 40 0 IJABHN COc1cccc(CN2CCC[C@](Cc3cc(-c4ccc(C)cc4)no3)(C(=O)N(C)C)C2)c1 ZINC000057775176 557265113 /nfs/dbraw/zinc/26/51/13/557265113.db2.gz HLGCQVMCXVNPCQ-HHHXNRCGSA-N 0 3 447.579 4.572 40 0 IJABHN Cc1ccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)n2)cc1 ZINC000222596928 557358485 /nfs/dbraw/zinc/35/84/85/557358485.db2.gz GSAOYEWUKMDUAY-HXUWFJFHSA-N 0 3 438.959 4.569 40 0 IJABHN CN1CCC(Oc2ccc(NC(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1 ZINC000222597734 557358790 /nfs/dbraw/zinc/35/87/90/557358790.db2.gz RYTIYMOHYSVYKZ-HXUWFJFHSA-N 0 3 442.003 4.664 40 0 IJABHN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223287519 557456096 /nfs/dbraw/zinc/45/60/96/557456096.db2.gz NLZCSNGGIMALJO-FCHUYYIVSA-N 0 3 441.000 4.838 40 0 IJABHN C[C@@H](C(=O)N1CCC(c2ccc(Cc3ccc(C(F)(F)F)cc3)cn2)CC1)N1CCCC1 ZINC000257205199 568667523 /nfs/dbraw/zinc/66/75/23/568667523.db2.gz AYAZAOWZMJGPJJ-SFHVURJKSA-N 0 3 445.529 4.882 40 0 IJABHN COc1ccc(-c2nccc([C@H]3CCCN3C(=O)c3ccccc3CN3CCCC3)n2)cc1 ZINC000257212246 568670778 /nfs/dbraw/zinc/67/07/78/568670778.db2.gz CCMWFTDMCBKCER-RUZDIDTESA-N 0 3 442.563 4.725 40 0 IJABHN Cc1cccc(CN2CCC(Cc3ccc(-c4cccnc4)cc3)(C(=O)NC(C)C)CC2)n1 ZINC000257228760 568678377 /nfs/dbraw/zinc/67/83/77/568678377.db2.gz FVCWVJYPVDEJJY-UHFFFAOYSA-N 0 3 442.607 4.802 40 0 IJABHN c1ccc(O[C@@H]2COC3(C2)CCN(Cc2cccc(OCc4ccccn4)c2)CC3)cc1 ZINC000257234718 568681243 /nfs/dbraw/zinc/68/12/43/568681243.db2.gz GUVQYZUFLHJXRO-SANMLTNESA-N 0 3 430.548 4.863 40 0 IJABHN CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4[nH]cnc4C)CC3)CO[C@H]21 ZINC000257236796 568682138 /nfs/dbraw/zinc/68/21/38/568682138.db2.gz HDVFRCQTFISNQM-SIKLNZKXSA-N 0 3 425.573 4.648 40 0 IJABHN CCCNC(=O)CCc1c(C)nc2cc([C@@H]3CCCN3CC3CCCCC3)nn2c1C ZINC000257272827 568698827 /nfs/dbraw/zinc/69/88/27/568698827.db2.gz NEAXVXWEUGVNTL-QHCPKHFHSA-N 0 3 425.621 4.522 40 0 IJABHN COc1ccccc1CC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000257312920 568716914 /nfs/dbraw/zinc/71/69/14/568716914.db2.gz UQESDCXLRAISCI-CUNXSJBXSA-N 0 3 447.554 4.542 40 0 IJABHN CCOC(=O)c1c(NC(=O)C2CCN(Cc3ccccc3C)CC2)sc2c1CCCC2 ZINC000009062934 569219804 /nfs/dbraw/zinc/21/98/04/569219804.db2.gz BJFXGRCHMBUSFC-UHFFFAOYSA-N 0 3 440.609 4.963 40 0 IJABHN CC(C)c1ccc(CN2CC[C@@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)cc1 ZINC000019702157 569231819 /nfs/dbraw/zinc/23/18/19/569231819.db2.gz DSRYVAIHGJFQFK-OAQYLSRUSA-N 0 3 449.620 4.882 40 0 IJABHN COc1ccc(CN2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cc1OC ZINC000019705139 569234011 /nfs/dbraw/zinc/23/40/11/569234011.db2.gz DAEFMKJNCMOGLM-KRWDZBQOSA-N 0 3 427.932 4.649 40 0 IJABHN COc1cccc(CN2CCC[C@@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)c1 ZINC000019705274 569234124 /nfs/dbraw/zinc/23/41/24/569234124.db2.gz DPPCPYGKBPCRNU-VWLOTQADSA-N 0 3 438.593 4.913 40 0 IJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)c(C)c1 ZINC000009185363 569294088 /nfs/dbraw/zinc/29/40/88/569294088.db2.gz MWQRUOLFFTVKCY-QTJGBDASSA-N 0 3 430.479 4.802 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000035833164 520386379 /nfs/dbraw/zinc/38/63/79/520386379.db2.gz GXKIREHZUOTFOE-VXNXHJTFSA-N 0 3 446.478 4.666 40 0 IJABHN CCCOc1ccccc1CN1CCC(O)(Cn2c(C(F)(F)F)cc3cccnc32)CC1 ZINC000012233799 520475449 /nfs/dbraw/zinc/47/54/49/520475449.db2.gz NGTMSVCXYBNFOE-UHFFFAOYSA-N 0 3 447.501 4.871 40 0 IJABHN Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000012640252 527119445 /nfs/dbraw/zinc/11/94/45/527119445.db2.gz JWPPTNGTWUKSGL-HOTGVXAUSA-N 0 3 436.522 4.790 40 0 IJABHN COc1cc([C@H](C)O)ccc1OCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000003991232 555952155 /nfs/dbraw/zinc/95/21/55/555952155.db2.gz SBKZGLWZGZQVHA-INIZCTEOSA-N 0 3 428.504 4.677 40 0 in-vitro IJABHN O[C@@](CCN1CCCCC1)(c1cccs1)[C@](O)(CCN1CCCCC1)c1cccs1 ZINC000004990877 556025924 /nfs/dbraw/zinc/02/59/24/556025924.db2.gz HBXJXJWAEPGUAF-ZEQRLZLVSA-N 0 3 448.698 4.637 40 0 IJABHN O=C(NC1CCCCC1)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038854552 556625356 /nfs/dbraw/zinc/62/53/56/556625356.db2.gz XPMZDGQWYZSBNF-FQEVSTJZSA-N 0 3 437.559 4.739 40 0 IJABHN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000100990109 556633695 /nfs/dbraw/zinc/63/36/95/556633695.db2.gz DOMCVTQHEFCIBE-FKBYEOEOSA-N 0 3 436.870 4.839 40 0 IJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@@H](c3ccc(F)cc3)[C@@H]2C1=O ZINC000101028609 556644374 /nfs/dbraw/zinc/64/43/74/556644374.db2.gz UZHWSKWLWRXIMO-FKBYEOEOSA-N 0 3 436.870 4.839 40 0 IJABHN CCOc1ccc(CNC(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)cc1OCC ZINC000044882945 556674408 /nfs/dbraw/zinc/67/44/08/556674408.db2.gz QBBHBPWTERLCAQ-HXUWFJFHSA-N 0 3 430.976 4.666 40 0 IJABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000019020530 556693387 /nfs/dbraw/zinc/69/33/87/556693387.db2.gz SZJOUNAPWSDMOT-HHHXNRCGSA-N 0 3 447.554 4.889 40 0 IJABHN COc1ccccc1-c1ccc(CN2CCC[C@@H]([C@@H](NC(C)=O)c3nccs3)C2)cc1 ZINC000019020987 556693606 /nfs/dbraw/zinc/69/36/06/556693606.db2.gz QLGIEBAFAJBLPT-ZJSXRUAMSA-N 0 3 435.593 4.908 40 0 IJABHN Cc1[nH]c2ccc(F)cc2c1[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(C)c(C)cc1O2 ZINC000019125102 556702772 /nfs/dbraw/zinc/70/27/72/556702772.db2.gz IGEDSXKEPFPCRT-PKTZIBPZSA-N 0 3 438.543 4.616 40 0 IJABHN Cc1cc(C)cc(-c2cccc(CC3(C(=O)NC[C@@H]4CCCN(C)C4)CCOCC3)c2)c1 ZINC000257339207 556706840 /nfs/dbraw/zinc/70/68/40/556706840.db2.gz ZASJVASTMRMFPH-DEOSSOPVSA-N 0 3 434.624 4.768 40 0 IJABHN c1cnc(Oc2cccc(CN3CCOC[C@H](Cc4ccc5ccncc5c4)C3)c2)nc1 ZINC000257225970 556708712 /nfs/dbraw/zinc/70/87/12/556708712.db2.gz FIQBKIVNGBQBPO-JOCHJYFZSA-N 0 3 426.520 4.508 40 0 IJABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1 ZINC000019220373 556715168 /nfs/dbraw/zinc/71/51/68/556715168.db2.gz UUTMQRVJBTUFIR-QHCPKHFHSA-N 0 3 447.579 4.639 40 0 IJABHN COc1ccc(CN2CCC([C@@H](NC(=O)c3ccccc3C)c3ccccn3)CC2)cc1 ZINC000019236862 556721574 /nfs/dbraw/zinc/72/15/74/556721574.db2.gz UZASKQGDTFYXDG-AREMUKBSSA-N 0 3 429.564 4.782 40 0 IJABHN O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019370900 556748364 /nfs/dbraw/zinc/74/83/64/556748364.db2.gz AOLNUQZENUMDSL-YIXXDRMTSA-N 0 3 431.555 4.923 40 0 IJABHN O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019370904 556748496 /nfs/dbraw/zinc/74/84/96/556748496.db2.gz AOLNUQZENUMDSL-WNCULLNHSA-N 0 3 431.555 4.923 40 0 IJABHN C[C@H]1Cc2cc(CN3CCC([C@H](NC(=O)c4cccs4)c4ccccn4)CC3)ccc2O1 ZINC000019498180 556770584 /nfs/dbraw/zinc/77/05/84/556770584.db2.gz USYBJAWRWPWPSO-BVZFJXPGSA-N 0 3 447.604 4.850 40 0 IJABHN CCn1cc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c2ccccc21 ZINC000019524758 556782030 /nfs/dbraw/zinc/78/20/30/556782030.db2.gz KEPPBOCTQJOAGO-JWQCQUIFSA-N 0 3 434.580 4.662 40 0 IJABHN CCN1CCC[C@@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000001371364 556784266 /nfs/dbraw/zinc/78/42/66/556784266.db2.gz IWBIXQCAOYHKNO-JOCHJYFZSA-N 0 3 432.568 4.663 40 0 IJABHN CCN1CCC[C@@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000001371576 556784456 /nfs/dbraw/zinc/78/44/56/556784456.db2.gz KDBIDHRAHDXKKU-HSZRJFAPSA-N 0 3 432.568 4.663 40 0 IJABHN CCNC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCN(Cc2cnc(C(C)C)nc2)C1 ZINC000019529191 556790539 /nfs/dbraw/zinc/79/05/39/556790539.db2.gz NBKJAODBAGNJKE-SANMLTNESA-N 0 3 448.636 4.899 40 0 IJABHN Cc1[nH]c2ccccc2c1[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2 ZINC000019581641 556819697 /nfs/dbraw/zinc/81/96/97/556819697.db2.gz PSRCSYBFNIBMGX-NHCUHLMSSA-N 0 3 426.944 4.514 40 0 IJABHN O=C(c1cc2sccc2n1Cc1ccc(F)cc1)N1CCN(C2CCCCC2)CC1 ZINC000004971364 556826460 /nfs/dbraw/zinc/82/64/60/556826460.db2.gz UJWXWECFGGRPCB-UHFFFAOYSA-N 0 3 425.573 4.981 40 0 IJABHN Cc1cc(-c2cncnc2)cc([C@@H]2CCCN(Cc3cc4ccccc4nc3N(C)C)C2)n1 ZINC000072353671 556927749 /nfs/dbraw/zinc/92/77/49/556927749.db2.gz OEEBMDGLRKSQCD-OAQYLSRUSA-N 0 3 438.579 4.841 40 0 IJABHN OCCCn1cc(CN2CCC[C@H]2c2cccc(Nc3ccccn3)n2)c2ccccc21 ZINC000072375758 556952872 /nfs/dbraw/zinc/95/28/72/556952872.db2.gz WDICLCNBTJKFNQ-DEOSSOPVSA-N 0 3 427.552 4.894 40 0 IJABHN CCOc1ccc(CN2CCC[C@H](c3cccc(Nc4nc(C)cc(C)n4)n3)C2)cc1CO ZINC000072376111 556954225 /nfs/dbraw/zinc/95/42/25/556954225.db2.gz GPDZNQAHGLHQOW-NRFANRHFSA-N 0 3 447.583 4.503 40 0 IJABHN O=C(c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1ccccn1)N1CCOCC1 ZINC000072380096 556957634 /nfs/dbraw/zinc/95/76/34/556957634.db2.gz HRGLJZOKOFXMNX-OAQYLSRUSA-N 0 3 449.620 4.756 40 0 IJABHN Clc1ccc(COc2ccc(Cl)cc2CNCCN2CCOCC2)c(Cl)c1 ZINC000023255796 557079276 /nfs/dbraw/zinc/07/92/76/557079276.db2.gz QGWONGJFJYSZMQ-UHFFFAOYSA-N 0 3 429.775 4.648 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@H](c3cccs3)[C@@H]2C(=O)N1c1cccc2ccccc21 ZINC000102733256 557131730 /nfs/dbraw/zinc/13/17/30/557131730.db2.gz QJAIQSRXULGGAZ-ZRBLBEILSA-N 0 3 426.497 4.952 40 0 IJABHN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1 ZINC000102739057 557132116 /nfs/dbraw/zinc/13/21/16/557132116.db2.gz WTGWVVNWSIZOJE-XPWALMASSA-N 0 3 448.906 4.708 40 0 IJABHN CN1CCC(Oc2ccc(NC(=O)C3CCN(Cc4ccc(Cl)cc4)CC3)cc2)CC1 ZINC000219414740 557243585 /nfs/dbraw/zinc/24/35/85/557243585.db2.gz YOTRSOHHAXTCME-UHFFFAOYSA-N 0 3 442.003 4.664 40 0 IJABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1cccc(OC)c1OC ZINC000072370596 557388770 /nfs/dbraw/zinc/38/87/70/557388770.db2.gz KTYXIIFEVQIVBM-GOSISDBHSA-N 0 3 438.593 4.875 40 0 IJABHN C[C@H]1CCCCN1C[C@@]1(C)COc2c(Br)cc(Br)cc2C1=O ZINC000016608976 557474978 /nfs/dbraw/zinc/47/49/78/557474978.db2.gz LPOZMPDPRTXQTO-GTNSWQLSSA-N 0 3 431.168 4.667 40 0 IJABHN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000223788669 557513392 /nfs/dbraw/zinc/51/33/92/557513392.db2.gz UXEBMYZFAIREHP-RPWUZVMVSA-N 0 3 441.560 4.843 40 0 IJABHN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)ccc1F ZINC000224892035 557663709 /nfs/dbraw/zinc/66/37/09/557663709.db2.gz XTCXLTCIGCBUSI-DHIUTWEWSA-N 0 3 429.524 4.892 40 0 IJABHN CN1CCC(Oc2ccc(CNC(=S)Nc3ccc(OC4CCCC4)cc3)cc2)CC1 ZINC000225773570 557775879 /nfs/dbraw/zinc/77/58/79/557775879.db2.gz XJYOXPDGUQMPPD-UHFFFAOYSA-N 0 3 439.625 4.968 40 0 IJABHN CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@H]4CCN3C[C@@H]4C(=O)Nc3ccccc3)nn2)cc1 ZINC000008299292 560208578 /nfs/dbraw/zinc/20/85/78/560208578.db2.gz ZQBJGYWBEGXODV-HUVFLSCGSA-N 0 3 443.595 4.592 40 0 biogenic,in-vitro IJABHN Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN(Cc3cccc(-c4cccc(F)c4)c3)C2)n1 ZINC000257216313 568672457 /nfs/dbraw/zinc/67/24/57/568672457.db2.gz CTZFPAFPLUOICF-MHZLTWQESA-N 0 3 446.570 4.847 40 0 IJABHN COc1cc2c(cc1CN1CCC(c3cncc(Nc4cccc(C)n4)n3)CC1)CCC2 ZINC000257225418 568676641 /nfs/dbraw/zinc/67/66/41/568676641.db2.gz FGCUDSWDALBFMZ-UHFFFAOYSA-N 0 3 429.568 4.801 40 0 IJABHN Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN(Cc3cccc(-c4ccc(F)cc4)c3)C2)n1 ZINC000257242752 568684938 /nfs/dbraw/zinc/68/49/38/568684938.db2.gz IDZHDHGSSDJPLX-HHHXNRCGSA-N 0 3 446.570 4.847 40 0 IJABHN COc1ccc(CC(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)cc1OC ZINC000257326449 568723013 /nfs/dbraw/zinc/72/30/13/568723013.db2.gz WXGPHVBLBHILSL-IBGZPJMESA-N 0 3 449.526 4.849 40 0 IJABHN Cc1nc([C@@H]2CCCN(Cc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257343929 568730156 /nfs/dbraw/zinc/73/01/56/568730156.db2.gz ZUZKQCUKZJESCC-OAQYLSRUSA-N 0 3 432.543 4.793 40 0 IJABHN COc1cc(CCC(=O)N2CCC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)on1 ZINC000257344919 568730826 /nfs/dbraw/zinc/73/08/26/568730826.db2.gz ZZFWAJFJJWHKQB-KRWDZBQOSA-N 0 3 438.503 4.608 40 0 IJABHN Cn1ccnc1-c1nc(NC2CCN(Cc3ccccc3)CC2)ncc1-c1cccc(F)c1 ZINC000057775462 568909443 /nfs/dbraw/zinc/90/94/43/568909443.db2.gz ODBGLEADSUFYGH-UHFFFAOYSA-N 0 3 442.542 4.760 40 0 IJABHN COC(=O)c1c(NC(=O)C2CCN(Cc3ccccc3C)CC2)sc2c1CCCC2 ZINC000009062935 569219747 /nfs/dbraw/zinc/21/97/47/569219747.db2.gz RVOUVRRNYCGJAR-UHFFFAOYSA-N 0 3 426.582 4.573 40 0 IJABHN COc1c(C)cccc1CN1CC[C@](Cc2cc(C3CCCCC3)no2)(C(=O)N(C)C)C1 ZINC000019739240 569236519 /nfs/dbraw/zinc/23/65/19/569236519.db2.gz RYTKHLJGMNEMON-AREMUKBSSA-N 0 3 439.600 4.562 40 0 IJABHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ncoc1-c1cccs1 ZINC000013565403 132350217 /nfs/dbraw/zinc/35/02/17/132350217.db2.gz SMNQTTFGOQEUCN-UHFFFAOYSA-N 0 3 444.560 4.978 40 0 IJABHN CCn1c2ccccc2c2cc(CNCCSc3nnnn3-c3ccccc3)ccc21 ZINC000022108086 523273758 /nfs/dbraw/zinc/27/37/58/523273758.db2.gz PYDURHPPRRRVHB-UHFFFAOYSA-N 0 3 428.565 4.672 40 0 IJABHN Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@H](O)c3cn(C)c4ccccc34)CC1)O2 ZINC000019125720 525605255 /nfs/dbraw/zinc/60/52/55/525605255.db2.gz JIISLOFLWBEPRP-PKTZIBPZSA-N 0 3 440.971 4.524 40 0 IJABHN CCN(CC)CCOC(=O)c1ccc(NC(=O)Nc2ccc(Br)cc2)cc1 ZINC000001664913 555708523 /nfs/dbraw/zinc/70/85/23/555708523.db2.gz DXHFLIWWQFYXBI-UHFFFAOYSA-N 0 3 434.334 4.592 40 0 IJABHN C[C@@]1(O)CCN(CC2CCCCC2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514289860 556624303 /nfs/dbraw/zinc/62/43/03/556624303.db2.gz KIDWQKCNOHKDRL-WPFOTENUSA-N 0 3 430.589 4.764 40 0 biogenic,in-vitro IJABHN Cc1ccc(Cl)cc1NC(=O)CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000040372466 556635224 /nfs/dbraw/zinc/63/52/24/556635224.db2.gz OGELNTQRRKPREH-NRFANRHFSA-N 0 3 445.910 4.510 40 0 IJABHN COc1ccc2c(c1)[C@H](NC(=O)[C@@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855472 556671654 /nfs/dbraw/zinc/67/16/54/556671654.db2.gz VAOLLWUNFIZNCR-XMSQKQJNSA-N 0 3 442.987 4.979 40 0 IJABHN COc1ccc([C@@H]2CN(C(=O)C(C)C)[C@H]3CCN(Cc4ccccc4Cl)C[C@@H]23)cc1 ZINC000019086110 556699753 /nfs/dbraw/zinc/69/97/53/556699753.db2.gz ZHDVFCAAMXQFJN-FIXSFTCYSA-N 0 3 426.988 4.821 40 0 IJABHN Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000019125671 556703166 /nfs/dbraw/zinc/70/31/66/556703166.db2.gz ZOZYMKYMRJACCR-DHIUTWEWSA-N 0 3 427.972 4.521 40 0 IJABHN CC1(C(=O)N2CCOC[C@@H](Cc3ccc4ccoc4c3)C2)CCN(Cc2ccccc2)CC1 ZINC000257319113 556704190 /nfs/dbraw/zinc/70/41/90/556704190.db2.gz VQVGQACDTORZON-DEOSSOPVSA-N 0 3 446.591 4.753 40 0 IJABHN c1cncc(COc2cccc(CN3CCOC[C@@H](Cc4ccc5ncccc5c4)C3)c2)c1 ZINC000257330069 556705638 /nfs/dbraw/zinc/70/56/38/556705638.db2.gz XMQSXARYMHWNLX-VWLOTQADSA-N 0 3 439.559 4.900 40 0 IJABHN COc1ccccc1-c1ccccc1CN1CCOC[C@@H](Cc2cccn3nccc23)C1 ZINC000257235899 556709725 /nfs/dbraw/zinc/70/97/25/556709725.db2.gz HAAAGTQHCXWFBU-NRFANRHFSA-N 0 3 427.548 4.701 40 0 IJABHN COc1ccccc1-c1ccccc1CN1CCOC[C@H](Cc2nccn3cccc23)C1 ZINC000257256212 556712116 /nfs/dbraw/zinc/71/21/16/556712116.db2.gz KKMQWYBFPISBJD-OAQYLSRUSA-N 0 3 427.548 4.701 40 0 IJABHN Cc1c2ccc(C)cc2oc1C(=O)N1CCC(O)(CN2CCCC[C@H]2c2cccnc2)CC1 ZINC000019217982 556713185 /nfs/dbraw/zinc/71/31/85/556713185.db2.gz DYMQSBYCBDVPNV-QHCPKHFHSA-N 0 3 447.579 4.639 40 0 IJABHN Cc1c2cc(C)ccc2oc1C(=O)N1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019220371 556715093 /nfs/dbraw/zinc/71/50/93/556715093.db2.gz UUTMQRVJBTUFIR-HSZRJFAPSA-N 0 3 447.579 4.639 40 0 IJABHN CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2ccccn2)CC1 ZINC000257286517 556715687 /nfs/dbraw/zinc/71/56/87/556715687.db2.gz PLWVKQMUYPFMTR-UHFFFAOYSA-N 0 3 431.555 4.849 40 0 IJABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2sccc2C)C1 ZINC000019238618 556723745 /nfs/dbraw/zinc/72/37/45/556723745.db2.gz SVWNNNQRULKZAG-DVECYGJZSA-N 0 3 435.593 4.843 40 0 IJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4C)[C@H]3C2=O)cc1 ZINC000013811078 556743738 /nfs/dbraw/zinc/74/37/38/556743738.db2.gz ILHSREBFKREXTF-DSITVLBTSA-N 0 3 442.515 4.753 40 0 IJABHN COc1cc(CN2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)cc(OC)c1 ZINC000019450317 556761234 /nfs/dbraw/zinc/76/12/34/556761234.db2.gz BAKSXYDCSKQRNU-UHFFFAOYSA-N 0 3 447.583 4.756 40 0 IJABHN CC[C@H](C)n1[nH]c(=O)c2c1nc(C(F)(F)F)cc2C1CCN(Cc2ccncc2)CC1 ZINC000019500046 556771806 /nfs/dbraw/zinc/77/18/06/556771806.db2.gz NLZHWPBFTMVJNB-AWEZNQCLSA-N 0 3 433.478 4.901 40 0 IJABHN CCN1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=S)Nc1ccccc1 ZINC000001325972 556771858 /nfs/dbraw/zinc/77/18/58/556771858.db2.gz UTAGEUWZEFXQDL-QHCPKHFHSA-N 0 3 448.636 4.828 40 0 IJABHN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@@H](C)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002309498 556799701 /nfs/dbraw/zinc/79/97/01/556799701.db2.gz ZTWPZFHRGYWZSE-OZYPNJIESA-N 0 3 429.536 4.711 40 0 IJABHN COc1ccccc1NC(=O)c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019571326 556811631 /nfs/dbraw/zinc/81/16/31/556811631.db2.gz MWMAGOJDEXNTNA-LJQANCHMSA-N 0 3 442.519 4.863 40 0 IJABHN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN3Cc3ccc4ncccc4c3)c2)cn1 ZINC000019691057 556846837 /nfs/dbraw/zinc/84/68/37/556846837.db2.gz NILYFKHOYWLYSV-AREMUKBSSA-N 0 3 437.547 4.697 40 0 IJABHN CCn1ncc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)c1C ZINC000019693957 556848901 /nfs/dbraw/zinc/84/89/01/556848901.db2.gz OYFHRTBQGFPTHL-LJQANCHMSA-N 0 3 439.007 4.767 40 0 IJABHN Cc1cccc(CNc2n[nH]c3nc([C@H]4CCCN(Cc5ccccc5F)C4)ccc23)n1 ZINC000019742577 556886713 /nfs/dbraw/zinc/88/67/13/556886713.db2.gz UEFJHELKWRXETO-IBGZPJMESA-N 0 3 430.531 4.792 40 0 IJABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc1 ZINC000072330507 556906213 /nfs/dbraw/zinc/90/62/13/556906213.db2.gz JWGROBAGJQJLRC-BWKNWUBXSA-N 0 3 433.527 4.613 40 0 IJABHN CC(C)(C)c1n[nH]cc1CN1CCC[C@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330518 556906311 /nfs/dbraw/zinc/90/63/11/556906311.db2.gz VYSXRRGDFPSZTF-CVDCTZTESA-N 0 3 449.574 4.625 40 0 IJABHN CCOc1ccc(CN2CCC(Cc3ccccc3-c3cccnc3)(C(=O)NC)CC2)cc1 ZINC000585166181 557128846 /nfs/dbraw/zinc/12/88/46/557128846.db2.gz NAJCDNIGZVQDBV-UHFFFAOYSA-N 0 3 443.591 4.718 40 0 IJABHN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102707320 557133209 /nfs/dbraw/zinc/13/32/09/557133209.db2.gz UXQUZXKOZPXCFG-XPWALMASSA-N 0 3 448.906 4.708 40 0 IJABHN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222597301 557359016 /nfs/dbraw/zinc/35/90/16/557359016.db2.gz HWHMXYAFPHCUHF-KRWDZBQOSA-N 0 3 444.988 4.712 40 0 IJABHN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cccc3ncccc23)C1 ZINC000072344827 557376975 /nfs/dbraw/zinc/37/69/75/557376975.db2.gz MJKUNXBLIMOEJH-JOCHJYFZSA-N 0 3 439.563 4.610 40 0 IJABHN Cc1ccc(Sc2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1 ZINC000223263046 557452398 /nfs/dbraw/zinc/45/23/98/557452398.db2.gz UDGBTSORLGULBA-FCHUYYIVSA-N 0 3 438.622 4.668 40 0 IJABHN CCCOC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440286 557723040 /nfs/dbraw/zinc/72/30/40/557723040.db2.gz WFBXAALIPGYPSI-UHFFFAOYSA-N 0 3 429.564 4.747 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@@H]3C2=O)cc1 ZINC000101254260 557782456 /nfs/dbraw/zinc/78/24/56/557782456.db2.gz IXPCHQBOAOQVFT-VXNXHJTFSA-N 0 3 446.478 4.666 40 0 IJABHN Cc1cnc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)c2)s1 ZINC000257287495 568705651 /nfs/dbraw/zinc/70/56/51/568705651.db2.gz PQFPDZZDMMOFDA-MRXNPFEDSA-N 0 3 432.553 4.713 40 0 IJABHN COCc1cc(CN2CCC[C@@H](c3cccc(Nc4cnccn4)n3)C2)ccc1OC(C)C ZINC000257297041 568710006 /nfs/dbraw/zinc/71/00/06/568710006.db2.gz RFNLIEFAJHMDDH-OAQYLSRUSA-N 0 3 447.583 4.928 40 0 IJABHN COc1ccc([C@H]2CN(C(C)=O)[C@@H]3CCN(Cc4ccccc4OC4CCCC4)C[C@@H]32)cc1 ZINC000257302099 568712121 /nfs/dbraw/zinc/71/21/21/568712121.db2.gz SBNOXCMTZDUGMA-ZONZVBGPSA-N 0 3 448.607 4.853 40 0 IJABHN CC1(C)Cc2cc(CN3CCC[C@@H](c4n[nH]cc4C(=O)N4CCCCCC4)C3)ccc2O1 ZINC000257325659 568722563 /nfs/dbraw/zinc/72/25/63/568722563.db2.gz WTVJOWHRJUKAHP-HXUWFJFHSA-N 0 3 436.600 4.519 40 0 IJABHN COc1ccc(CN2CCC[C@@](Cc3cc(-c4ccc(C)cc4)no3)(C(=O)N(C)C)C2)cc1 ZINC000057775174 568909071 /nfs/dbraw/zinc/90/90/71/568909071.db2.gz PSNZRVSVMQZYJE-MHZLTWQESA-N 0 3 447.579 4.572 40 0 IJABHN O=C(NCc1ccccc1)c1ccccc1NC(=O)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063592 569220019 /nfs/dbraw/zinc/22/00/19/569220019.db2.gz LQVRRCJNENJMLV-UHFFFAOYSA-N 0 3 445.538 4.606 40 0 IJABHN CC(C)(C)c1n[nH]cc1CN1CCC[C@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019083498 569226178 /nfs/dbraw/zinc/22/61/78/569226178.db2.gz VYSXRRGDFPSZTF-WMZHIEFXSA-N 0 3 449.574 4.625 40 0 IJABHN COc1cc(CN2CC[C@@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)ccc1OC(C)C ZINC000019704653 569233555 /nfs/dbraw/zinc/23/35/55/569233555.db2.gz YCFGAOLUNMUEAW-LJQANCHMSA-N 0 3 439.531 4.913 40 0 IJABHN COc1ccc(CN2C(=O)CCCC[C@H]3N(Cc4cnc(C(C)C)nc4)CC[C@]32C)cc1 ZINC000019713397 569235663 /nfs/dbraw/zinc/23/56/63/569235663.db2.gz DTOMYRPXZGMQCV-ZEQKJWHPSA-N 0 3 436.600 4.544 40 0 IJABHN CC[C@@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(OC)c1 ZINC000044856776 569249334 /nfs/dbraw/zinc/24/93/34/569249334.db2.gz UTHOPGUKPIFXRX-PZJWPPBQSA-N 0 3 430.976 4.837 40 0 IJABHN CCOc1ccc(CN2CCC(Cc3ccc(-c4cccnc4)cc3)(C(=O)NC)CC2)cc1 ZINC000019700155 569327105 /nfs/dbraw/zinc/32/71/05/569327105.db2.gz LXTVTYIZXNTKOP-UHFFFAOYSA-N 0 3 443.591 4.718 40 0 IJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@]3(C)C2=O)cc1 ZINC000008737871 569472743 /nfs/dbraw/zinc/47/27/43/569472743.db2.gz LQIDFRGDSINPPB-PPJWLVRDSA-N 0 3 428.488 4.527 40 0 IJABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2C)cc1 ZINC000008741732 569472921 /nfs/dbraw/zinc/47/29/21/569472921.db2.gz HPEUIIQOVQZUHQ-XPWALMASSA-N 0 3 448.906 4.708 40 0 IJABHN COCCCn1c(C)cc(C(=O)CN2C(C)=N[C@H](Cc3c[nH]c4ccccc34)[C@@H]2C)c1C ZINC000070503709 569545113 /nfs/dbraw/zinc/54/51/13/569545113.db2.gz FPJRAOJSVAYQHH-UQBPGWFLSA-N 0 3 434.584 4.539 40 0 IJABHN COc1ccc(C(=O)Nc2ccc(-c3noc([C@@H]4CCCN4C4CCCCC4)n3)cn2)cc1 ZINC000049155198 291391332 /nfs/dbraw/zinc/39/13/32/291391332.db2.gz MCPBWXSIKKGRNT-NRFANRHFSA-N 0 3 447.539 4.862 40 0 biogenic,in-vitro IJABHN COc1ccc(-c2ccc(=O)n3c2[C@@H]2C[C@@H](CN(Cc4cc5ccccc5o4)C2)C3)cc1 ZINC000020503363 523130104 /nfs/dbraw/zinc/13/01/04/523130104.db2.gz CTYOMZFNEROQLO-GHTZIAJQSA-N 0 3 426.516 4.889 40 0 biogenic,in-vitro IJABHN Cc1cc2c(cc1Br)C(=O)[C@@](CN1CCCC1)(Sc1ccccc1)CO2 ZINC000015229081 556512782 /nfs/dbraw/zinc/51/27/82/556512782.db2.gz ONFHZDXFGAFYSX-NRFANRHFSA-N 0 3 432.383 4.960 40 0 IJABHN C[C@@]1(O)CCN(CCCc2ccccc2)[C@@H](c2ccccc2)[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000514288924 556625139 /nfs/dbraw/zinc/62/51/39/556625139.db2.gz DHCQVJJRVUWMTC-UNCTUWKVSA-N 0 3 446.566 4.755 40 0 biogenic,in-vitro IJABHN Cc1ccc(Cl)cc1NC(=O)CC1C(=O)N(Cc2cccnc2)c2nc3ccccc3n21 ZINC000040372463 556635213 /nfs/dbraw/zinc/63/52/13/556635213.db2.gz OGELNTQRRKPREH-OAQYLSRUSA-N 0 3 445.910 4.510 40 0 IJABHN Cc1[nH]c2ccc(F)cc2c1[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(C)c(C)cc1O2 ZINC000019125099 556702842 /nfs/dbraw/zinc/70/28/42/556702842.db2.gz IGEDSXKEPFPCRT-DHIUTWEWSA-N 0 3 438.543 4.616 40 0 IJABHN c1cnc(Oc2cccc(CN3CCOC[C@H](Cc4cccc5ccncc54)C3)c2)nc1 ZINC000257334273 556706308 /nfs/dbraw/zinc/70/63/08/556706308.db2.gz YFFIWUASHCLBIW-OAQYLSRUSA-N 0 3 426.520 4.508 40 0 IJABHN CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2ccccc2Cl)CC1 ZINC000257236460 556710062 /nfs/dbraw/zinc/71/00/62/556710062.db2.gz HCHXIVZVIVKXSV-UHFFFAOYSA-N 0 3 433.983 4.973 40 0 IJABHN CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000101185159 556748146 /nfs/dbraw/zinc/74/81/46/556748146.db2.gz YHWRGPPHBFCXQM-VJBWXMMDSA-N 0 3 448.906 4.790 40 0 IJABHN O=C(c1ccsc1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@@H](c1ccccc1)O2 ZINC000019371696 556748376 /nfs/dbraw/zinc/74/83/76/556748376.db2.gz SLCXXECNNROSOS-DEOSSOPVSA-N 0 3 432.589 4.997 40 0 IJABHN COc1ccc(CN2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)c(OC)c1 ZINC000019450334 556761284 /nfs/dbraw/zinc/76/12/84/556761284.db2.gz CWRSIMROQQPGSF-UHFFFAOYSA-N 0 3 447.583 4.756 40 0 IJABHN CCN1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1ccc(C)cc1 ZINC000001325907 556771678 /nfs/dbraw/zinc/77/16/78/556771678.db2.gz GRYRZESPVCYVGI-QHCPKHFHSA-N 0 3 448.636 4.828 40 0 IJABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019532685 556792882 /nfs/dbraw/zinc/79/28/82/556792882.db2.gz SZQVTLMFASBLMX-JWQCQUIFSA-N 0 3 433.548 4.623 40 0 IJABHN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@H](C)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002310300 556799929 /nfs/dbraw/zinc/79/99/29/556799929.db2.gz ZWTCZQVDMNQUBP-NWLBTCKQSA-N 0 3 441.572 4.581 40 0 IJABHN COCC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000019592991 556829203 /nfs/dbraw/zinc/82/92/03/556829203.db2.gz ARSCLKAEHBOKHS-KCWPFWIISA-N 0 3 447.554 4.604 40 0 IJABHN Nc1ncnc2nc([C@@H]3CCCN(Cc4ccc5ncccc5c4)C3)cc(C(F)(F)F)c12 ZINC000019743271 556887659 /nfs/dbraw/zinc/88/76/59/556887659.db2.gz NFYUXVHLWWLHHB-MRXNPFEDSA-N 0 3 438.457 4.554 40 0 IJABHN CC(C)NC(=O)c1cc([C@@H]2CCN(Cc3c[nH]nc3-c3ccccc3)C2)nc2ccccc21 ZINC000019761889 556905566 /nfs/dbraw/zinc/90/55/66/556905566.db2.gz RCVZYIZEXQPSFU-HXUWFJFHSA-N 0 3 439.563 4.753 40 0 IJABHN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)c1 ZINC000072330487 556905928 /nfs/dbraw/zinc/90/59/28/556905928.db2.gz FMJMGKYZQJTKMJ-NVQXNPDNSA-N 0 3 429.564 4.782 40 0 IJABHN COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000072352458 556924172 /nfs/dbraw/zinc/92/41/72/556924172.db2.gz SAYDPTZVLFZRFF-HXUWFJFHSA-N 0 3 445.588 4.815 40 0 IJABHN NC(=O)c1sc2ccccc2c1C[C@H]1CCCN1Cc1ccc(Oc2ncccn2)cc1 ZINC000072370310 556934507 /nfs/dbraw/zinc/93/45/07/556934507.db2.gz YHHYGCBCOTZMLB-GOSISDBHSA-N 0 3 444.560 4.790 40 0 IJABHN OCCCn1cc(CN2CCC[C@@H]2c2cccc(Nc3nccs3)n2)c2ccccc21 ZINC000072375761 556953049 /nfs/dbraw/zinc/95/30/49/556953049.db2.gz MHSMGDSATPKFDD-JOCHJYFZSA-N 0 3 433.581 4.956 40 0 IJABHN O=C(CC1C(=O)N(CCc2ccccc2)c2nc3ccccc3n21)Nc1ccc(Cl)cc1 ZINC000019962155 556955930 /nfs/dbraw/zinc/95/59/30/556955930.db2.gz VQAGIGPCEIKNGG-QFIPXVFZSA-N 0 3 444.922 4.849 40 0 IJABHN Cc1cccnc1[C@@]1(O)CC[C@@H]2CN(Cc3ccccc3OCc3cccc(F)c3)C[C@@H]21 ZINC000072392532 556963683 /nfs/dbraw/zinc/96/36/83/556963683.db2.gz BTQWPZCZVJBBPJ-SSEPRJSISA-N 0 3 432.539 4.838 40 0 IJABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3ccc(OCc4ccccc4F)cc3)C[C@H]21 ZINC000072392533 556963708 /nfs/dbraw/zinc/96/37/08/556963708.db2.gz GTPXZDJENDHUEV-WBWMCNGVSA-N 0 3 432.539 4.838 40 0 IJABHN COc1ccc(N2OC3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000102699799 557132665 /nfs/dbraw/zinc/13/26/65/557132665.db2.gz BDLOFNBNMNAGLG-XPWALMASSA-N 0 3 448.906 4.708 40 0 IJABHN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000102707316 557133225 /nfs/dbraw/zinc/13/32/25/557133225.db2.gz UXQUZXKOZPXCFG-RJGXRXQPSA-N 0 3 448.906 4.708 40 0 IJABHN COc1cccc(CN2CCC[C@@](Cc3cc(-c4ccc(C)cc4)no3)(C(=O)N(C)C)C2)c1 ZINC000057775179 557265061 /nfs/dbraw/zinc/26/50/61/557265061.db2.gz HLGCQVMCXVNPCQ-MHZLTWQESA-N 0 3 447.579 4.572 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(C(F)(F)F)c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000102766445 557307779 /nfs/dbraw/zinc/30/77/79/557307779.db2.gz XQPYJQKPUOHFLY-HBMCJLEFSA-N 0 3 438.405 4.757 40 0 IJABHN Cc1cc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)ccc1F ZINC000224891916 557663714 /nfs/dbraw/zinc/66/37/14/557663714.db2.gz XTCXLTCIGCBUSI-GOTSBHOMSA-N 0 3 429.524 4.892 40 0 IJABHN CCn1c(=O)sc2cc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)ccc21 ZINC000225119981 557689589 /nfs/dbraw/zinc/68/95/89/557689589.db2.gz GDTDHGNLLJYMSM-INIZCTEOSA-N 0 3 429.973 4.587 40 0 IJABHN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCCCC4)on3)C2)c1 ZINC000257226722 568677381 /nfs/dbraw/zinc/67/73/81/568677381.db2.gz FLVQPSSQVUZABF-HXUWFJFHSA-N 0 3 425.573 4.906 40 0 IJABHN COCc1cc(CN2CCC(c3cccc(Nc4cnccn4)n3)CC2)ccc1OC(C)C ZINC000257298271 568710641 /nfs/dbraw/zinc/71/06/41/568710641.db2.gz RKZQCGOVOOQHCX-UHFFFAOYSA-N 0 3 447.583 4.928 40 0 IJABHN Cc1cccc(Cc2cncc([C@H]3CCCN3C(=O)c3ccccc3CN3CCCC3)n2)c1 ZINC000257304092 568712995 /nfs/dbraw/zinc/71/29/95/568712995.db2.gz SKAGCXWLDGCUKV-HHHXNRCGSA-N 0 3 440.591 4.949 40 0 IJABHN CCOc1ccc(CN2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)cc1CO ZINC000257326401 568722746 /nfs/dbraw/zinc/72/27/46/568722746.db2.gz WXCBJVJOMFPFTB-UHFFFAOYSA-N 0 3 432.568 4.799 40 0 IJABHN COc1cccc2c1OC1(CCN(Cc3ccc(NC(C)=O)cc3)CC1)[C@H]1CCCO[C@H]21 ZINC000257328870 568723848 /nfs/dbraw/zinc/72/38/48/568723848.db2.gz XHKVEVHNJYNSPM-LADGPHEKSA-N 0 3 436.552 4.549 40 0 IJABHN Cc1cc(C(F)(F)F)nc2sc(C(=O)NC3CCN(Cc4ccccc4)CC3)c(N)c21 ZINC000261526970 568735342 /nfs/dbraw/zinc/73/53/42/568735342.db2.gz SGESTJUFPRWJTP-UHFFFAOYSA-N 0 3 448.514 4.600 40 0 IJABHN CCOc1ccc(CN2CCC(c3nnc4ncc(-c5ccccc5F)cn43)CC2)cc1 ZINC000306144028 568773716 /nfs/dbraw/zinc/77/37/16/568773716.db2.gz YTVIQTIWTYQICL-UHFFFAOYSA-N 0 3 431.515 4.709 40 0 IJABHN COc1cc(CN2CC[C@H](c3cc(COc4ccc(F)cc4)[nH]n3)C2)ccc1OC(C)C ZINC000019704654 569233599 /nfs/dbraw/zinc/23/35/99/569233599.db2.gz YCFGAOLUNMUEAW-IBGZPJMESA-N 0 3 439.531 4.913 40 0 IJABHN COc1ccc2c(CN3CC[C@H]4[C@H]3CCCCC(=O)N4Cc3ccccc3F)c[nH]c2c1 ZINC000019713866 569235741 /nfs/dbraw/zinc/23/57/41/569235741.db2.gz FJFKWILUPMBJRF-RPBOFIJWSA-N 0 3 435.543 4.861 40 0 IJABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020634790 520479981 /nfs/dbraw/zinc/47/99/81/520479981.db2.gz FDKPADBGDQUHCV-SFHVURJKSA-N 0 3 446.425 4.534 40 0 IJABHN COc1ccc([C@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022870947 525380534 /nfs/dbraw/zinc/38/05/34/525380534.db2.gz BBAJRFXAJHAPJE-AREMUKBSSA-N 0 3 427.548 4.891 40 0 IJABHN Fc1ccccc1COc1ccccc1CNCCCSc1nnnn1-c1ccccc1 ZINC000022108854 526411830 /nfs/dbraw/zinc/41/18/30/526411830.db2.gz VKQUDQWLPWZJNH-UHFFFAOYSA-N 0 3 449.555 4.652 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000100724594 556569750 /nfs/dbraw/zinc/56/97/50/556569750.db2.gz DGYIORVYEFFGSJ-HBMCJLEFSA-N 0 3 438.405 4.757 40 0 IJABHN Cc1[nH]c2cc(C)ccc2c1[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(C)c(C)cc1O2 ZINC000019219596 556714152 /nfs/dbraw/zinc/71/41/52/556714152.db2.gz IWTSXYYPRIADLF-DNQXCXABSA-N 0 3 434.580 4.786 40 0 IJABHN Cc1cc(C)cc(-c2cccc(CC3(C(=O)NCCN4CCCCC4)CCOCC3)c2)c1 ZINC000257286030 556715706 /nfs/dbraw/zinc/71/57/06/556715706.db2.gz PJXCLBLUIZUFHY-UHFFFAOYSA-N 0 3 434.624 4.912 40 0 IJABHN OC1(c2cccnc2)[C@@H]2CCC[C@H]1CN(Cc1ccccc1OCc1cccc(F)c1)C2 ZINC000019348752 556744119 /nfs/dbraw/zinc/74/41/19/556744119.db2.gz QXYGCESCLMASBN-VKSRLUHHSA-N 0 3 432.539 4.919 40 0 IJABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000019374115 556750678 /nfs/dbraw/zinc/75/06/78/556750678.db2.gz IBBIIRIHQGVBQY-RPBOFIJWSA-N 0 3 433.523 4.877 40 0 IJABHN CCOC(=O)c1[nH]c2ccc(OC)cc2c1NC(=O)[C@@H](C)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002310299 556799619 /nfs/dbraw/zinc/79/96/19/556799619.db2.gz ZWTCZQVDMNQUBP-TWKFVSLJSA-N 0 3 441.572 4.581 40 0 IJABHN COc1cccc(CN2CCC[C@@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)c1OC ZINC000019564357 556805177 /nfs/dbraw/zinc/80/51/77/556805177.db2.gz ADZOIFOSRCVVKV-CQSZACIVSA-N 0 3 435.446 4.947 40 0 IJABHN Clc1ccc(OCc2nnc(SCCN3CCCCC3)n2Cc2ccco2)cc1 ZINC000004399823 556822538 /nfs/dbraw/zinc/82/25/38/556822538.db2.gz OQAWLIMCQATBNU-UHFFFAOYSA-N 0 3 432.977 4.730 40 0 IJABHN Cc1nn(C(C)C)c(C)c1CN1CCC([C@H]2CC=CCN(CCc3ccccc3)C2=O)CC1 ZINC000019698459 556856805 /nfs/dbraw/zinc/85/68/05/556856805.db2.gz PLQCBQNYJPEVRC-AREMUKBSSA-N 0 3 448.655 4.940 40 0 IJABHN Cc1cc2c(cc1CN1CCC[C@@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C1)OCO2 ZINC000072330435 556905570 /nfs/dbraw/zinc/90/55/70/556905570.db2.gz IZPLPUKKDKKGOC-KOSHJBKYSA-N 0 3 449.576 4.564 40 0 IJABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)cc(C)c2)=N[C@H]1c1ccccc1 ZINC000408991277 556911586 /nfs/dbraw/zinc/91/15/86/556911586.db2.gz QARYWZKBZZLYQC-QFIPXVFZSA-N 0 3 437.565 4.513 40 0 IJABHN Cc1cc2nc(C3CCN(Cc4cccn4-c4cccnc4)CC3)cc(C(F)(F)F)n2n1 ZINC000072340795 556912576 /nfs/dbraw/zinc/91/25/76/556912576.db2.gz NJNNICVPSVWNAS-UHFFFAOYSA-N 0 3 440.473 4.622 40 0 IJABHN COc1cc(C)c(CN2CCC[C@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1OC ZINC000072340884 556912827 /nfs/dbraw/zinc/91/28/27/556912827.db2.gz HKJMJZCUUAACDS-INIZCTEOSA-N 0 3 448.489 4.762 40 0 IJABHN O=S(=O)(Cc1ccccc1)N1CC[C@]2(CCN(Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096071132 557167971 /nfs/dbraw/zinc/16/79/71/557167971.db2.gz XIVFHMSBNMZJKA-MHZLTWQESA-N 0 3 446.616 4.781 40 0 IJABHN Cc1cc(I)ccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010333555 557216821 /nfs/dbraw/zinc/21/68/21/557216821.db2.gz MSYZZORKHDRZNW-UHFFFAOYSA-N 0 3 434.321 4.838 40 0 IJABHN O[C@@]1(COc2ccc(F)c(Cl)c2)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585284345 557224239 /nfs/dbraw/zinc/22/42/39/557224239.db2.gz XAGFDKXYESYMJV-YOSAUDMPSA-N 0 3 433.951 4.648 40 0 IJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)c(F)c4)[C@@H]3C2=O)c(C)c1 ZINC000101223327 557280246 /nfs/dbraw/zinc/28/02/46/557280246.db2.gz MJRFWFVTWDACHE-ZRBLBEILSA-N 0 3 434.442 4.633 40 0 IJABHN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCc1ccccc1CN1CCCCC1 ZINC000110930951 557365200 /nfs/dbraw/zinc/36/52/00/557365200.db2.gz KGMVCOJMPONHSB-UHFFFAOYSA-N 0 3 427.397 4.599 40 0 IJABHN Cc1ccc(CN2CCC(C(=O)Nc3nnc(SCc4ccccc4)s3)CC2)cc1 ZINC000224061870 557553254 /nfs/dbraw/zinc/55/32/54/557553254.db2.gz JQQPLRKJPPKOFR-UHFFFAOYSA-N 0 3 438.622 4.990 40 0 IJABHN COc1ccc([C@H]2C[C@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1CN1CCCCC1 ZINC000257220010 568674323 /nfs/dbraw/zinc/67/43/23/568674323.db2.gz DJEOBWBSBFSRTO-ZMVPXXBFSA-N 0 3 428.617 4.842 40 0 IJABHN CC(C)(C)n1ccc([C@H]2C[C@@H](C(=O)N3CCCC(C)(C)C3)N[C@H]2c2cccc(F)c2)n1 ZINC000257245681 568686459 /nfs/dbraw/zinc/68/64/59/568686459.db2.gz IQPKVDCCUIBSRB-HJNYFJLDSA-N 0 3 426.580 4.613 40 0 IJABHN CC(C)(C)c1nccc([C@H]2C[C@@H](C(=O)N3CCCC(C)(C)C3)N[C@H]2c2cccc(F)c2)n1 ZINC000257283117 568703510 /nfs/dbraw/zinc/70/35/10/568703510.db2.gz OWVAGHOVAFETEI-HJNYFJLDSA-N 0 3 438.591 4.749 40 0 IJABHN COC(=O)c1c(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)sc2c1CCCC2 ZINC000009063048 569219782 /nfs/dbraw/zinc/21/97/82/569219782.db2.gz QQNNSNDFTWRVPB-UHFFFAOYSA-N 0 3 426.582 4.573 40 0 IJABHN COc1cccc(CN2CCC[C@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)c1 ZINC000019705275 569234106 /nfs/dbraw/zinc/23/41/06/569234106.db2.gz DPPCPYGKBPCRNU-RUZDIDTESA-N 0 3 438.593 4.913 40 0 IJABHN Cc1nc2sccn2c1CN1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713400 569235667 /nfs/dbraw/zinc/23/56/67/569235667.db2.gz BCRAOUINADTJDK-ZJSXRUAMSA-N 0 3 440.588 4.779 40 0 IJABHN OCCN1CCN(CCC[C@H]2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000077291816 569293264 /nfs/dbraw/zinc/29/32/64/569293264.db2.gz KQKMVCKAKBHVAL-SFHVURJKSA-N 0 3 436.543 4.692 40 0 in-vitro IJABHN CN(C)CCCNc1nc(-c2ccccc2)cc(=NNc2ccc(Cl)cc2Cl)[nH]1 ZINC000329056117 569582839 /nfs/dbraw/zinc/58/28/39/569582839.db2.gz VRANTQFEJXGXNR-UHFFFAOYSA-N 0 3 431.371 5.253 40 0 IJABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc(C(F)(F)F)c1 ZINC000020634793 520478653 /nfs/dbraw/zinc/47/86/53/520478653.db2.gz FDKPADBGDQUHCV-GOSISDBHSA-N 0 3 446.425 4.534 40 0 IJABHN CC1CCN(Cc2ccc(C(=O)Nc3ccccc3C(=O)NCc3ccco3)cc2)CC1 ZINC000020456549 521026200 /nfs/dbraw/zinc/02/62/00/521026200.db2.gz HEINAGPGRKRWQR-UHFFFAOYSA-N 0 3 431.536 4.694 40 0 IJABHN C[C@@H]1CCCCN1C[C@]1(C)COc2c(Br)cc(Br)cc2C1=O ZINC000035193460 524116369 /nfs/dbraw/zinc/11/63/69/524116369.db2.gz LPOZMPDPRTXQTO-PIGZYNQJSA-N 0 3 431.168 4.667 40 0 IJABHN Cc1ccc(S[C@]2(CN3CCCC3)COc3ccc(Br)cc3C2=O)cc1 ZINC000016310901 525668265 /nfs/dbraw/zinc/66/82/65/525668265.db2.gz ZQLOHFYPWRRIDA-OAQYLSRUSA-N 0 3 432.383 4.960 40 0 IJABHN O[C@](CCN1CCCCC1)(c1cccs1)[C@@](O)(CCN1CCCCC1)c1cccs1 ZINC000004990876 556025881 /nfs/dbraw/zinc/02/58/81/556025881.db2.gz HBXJXJWAEPGUAF-DNQXCXABSA-N 0 3 448.698 4.637 40 0 IJABHN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000100943473 556614698 /nfs/dbraw/zinc/61/46/98/556614698.db2.gz UXQUZXKOZPXCFG-VJBWXMMDSA-N 0 3 448.906 4.708 40 0 IJABHN CCOc1cc(CN[C@@H](CC)CO)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016611360 556618116 /nfs/dbraw/zinc/61/81/16/556618116.db2.gz BXZDUXVDGNVQCI-KRWDZBQOSA-N 0 3 442.781 4.941 40 0 IJABHN CCOc1cc(CNC[C@H]2CCCO2)cc(Br)c1OCc1ccccc1F ZINC000016688716 556626700 /nfs/dbraw/zinc/62/67/00/556626700.db2.gz ABQMCPGNFAMOIZ-QGZVFWFLSA-N 0 3 438.337 4.835 40 0 IJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000101017935 556644077 /nfs/dbraw/zinc/64/40/77/556644077.db2.gz KRQORUMZGUNJPE-VJBWXMMDSA-N 0 3 432.907 4.954 40 0 IJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@@H]2C1=O ZINC000101028610 556644425 /nfs/dbraw/zinc/64/44/25/556644425.db2.gz UZHWSKWLWRXIMO-BDTNDASRSA-N 0 3 436.870 4.839 40 0 IJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000101178742 556651480 /nfs/dbraw/zinc/65/14/80/556651480.db2.gz GHKRNQYQZXZPOV-SDHOMARFSA-N 0 3 442.515 4.917 40 0 IJABHN COc1ccc(CCCNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC ZINC000044851797 556670713 /nfs/dbraw/zinc/67/07/13/556670713.db2.gz JEKVCHPIAOQTNL-UHFFFAOYSA-N 0 3 444.575 4.625 40 0 IJABHN CC(C)(C)c1n[nH]cc1CN1CCC([C@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000019083486 556697924 /nfs/dbraw/zinc/69/79/24/556697924.db2.gz QTQAUOZZAIJVBB-DEOSSOPVSA-N 0 3 437.632 4.752 40 0 IJABHN Cc1[nH]c2ccccc2c1[C@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(Cl)c(C)cc1O2 ZINC000019125619 556703204 /nfs/dbraw/zinc/70/32/04/556703204.db2.gz WSJFAQGUISZBKH-FCHUYYIVSA-N 0 3 440.971 4.822 40 0 IJABHN c1cnc(Oc2cccc(CN3CCOC[C@@H](Cc4cccc5ccncc54)C3)c2)nc1 ZINC000257334272 556706326 /nfs/dbraw/zinc/70/63/26/556706326.db2.gz YFFIWUASHCLBIW-NRFANRHFSA-N 0 3 426.520 4.508 40 0 IJABHN Cc1cc(C)cc(-c2cccc(CC3(C(=O)NC[C@H]4CCCN(C)C4)CCOCC3)c2)c1 ZINC000257339208 556707008 /nfs/dbraw/zinc/70/70/08/556707008.db2.gz ZASJVASTMRMFPH-XMMPIXPASA-N 0 3 434.624 4.768 40 0 IJABHN CC1CCN(CCNC(=O)C2(Cc3cccc(-c4ccc(F)cc4)c3)CCOCC2)CC1 ZINC000257219507 556707479 /nfs/dbraw/zinc/70/74/79/556707479.db2.gz DHAKZUXNICEKKS-UHFFFAOYSA-N 0 3 438.587 4.680 40 0 IJABHN Cc1ccc([C@]2(O)CC[C@H]3CN(Cc4ccccc4OCc4cccc(F)c4)C[C@H]32)nc1 ZINC000019216024 556711902 /nfs/dbraw/zinc/71/19/02/556711902.db2.gz VLDCIJITCIYNKF-WBWMCNGVSA-N 0 3 432.539 4.838 40 0 IJABHN O=C(c1ccncc1)N1C[C@@H](c2ccsc2)[C@@H]2CN(Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000019293422 556732913 /nfs/dbraw/zinc/73/29/13/556732913.db2.gz YAVYFUPDNCNAJW-VABKMULXSA-N 0 3 437.996 4.927 40 0 IJABHN CCCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000013787497 556735296 /nfs/dbraw/zinc/73/52/96/556735296.db2.gz GHKRNQYQZXZPOV-DSITVLBTSA-N 0 3 442.515 4.917 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(F)c4)[C@H]3C2=O)cc1 ZINC000013810672 556743673 /nfs/dbraw/zinc/74/36/73/556743673.db2.gz WMNHFELYSHGHNV-SGNDLWITSA-N 0 3 446.478 4.666 40 0 IJABHN OC1(c2cccnc2)[C@@H]2CCC[C@H]1CN(Cc1ccc(OCc3ccccc3F)cc1)C2 ZINC000019349605 556744416 /nfs/dbraw/zinc/74/44/16/556744416.db2.gz IIXDYSLRWDMYSA-VKSRLUHHSA-N 0 3 432.539 4.919 40 0 IJABHN Fc1cccc(Nc2cc(-c3ccncc3)nc([C@H]3CCN(Cc4ccccn4)C3)n2)c1 ZINC000019401534 556753844 /nfs/dbraw/zinc/75/38/44/556753844.db2.gz ITCZWEIFDNOSRL-IBGZPJMESA-N 0 3 426.499 4.806 40 0 IJABHN COc1ccccc1-c1ccc(C[C@@]2(C(=O)NC(C)C)CCN(Cc3cccnc3)C2)cc1 ZINC000019449586 556760460 /nfs/dbraw/zinc/76/04/60/556760460.db2.gz VNINTBAYYSHYST-NDEPHWFRSA-N 0 3 443.591 4.717 40 0 IJABHN COc1ccc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(C)c1C ZINC000019577376 556815566 /nfs/dbraw/zinc/81/55/66/556815566.db2.gz SDTRXFRZKWCGBP-QHCPKHFHSA-N 0 3 431.584 4.957 40 0 IJABHN Cc1cc(-c2cncnc2)cc(C2CCN(Cc3cc4ccccc4nc3N(C)C)CC2)n1 ZINC000019692194 556848535 /nfs/dbraw/zinc/84/85/35/556848535.db2.gz AOQCYRRQCMTRJX-UHFFFAOYSA-N 0 3 438.579 4.841 40 0 IJABHN Cc1nn(C(C)C)c(C)c1CN1CCC([C@@H]2CC=CCN(CCc3ccccc3)C2=O)CC1 ZINC000019698458 556856648 /nfs/dbraw/zinc/85/66/48/556856648.db2.gz PLQCBQNYJPEVRC-SANMLTNESA-N 0 3 448.655 4.940 40 0 IJABHN CCOc1cc(F)ccc1NC(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706083 556863915 /nfs/dbraw/zinc/86/39/15/556863915.db2.gz OFCQLKPSNDKLOK-IBGZPJMESA-N 0 3 434.515 4.646 40 0 IJABHN O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000072330549 556906623 /nfs/dbraw/zinc/90/66/23/556906623.db2.gz SSJNHGFHPCFYQM-HOFKKMOUSA-N 0 3 431.555 4.923 40 0 IJABHN Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@H](c2ncc(C(=O)N3CCCCC3)c(C)n2)C1 ZINC000019763253 556907960 /nfs/dbraw/zinc/90/79/60/556907960.db2.gz MJKVQXXMUROAEK-IBGZPJMESA-N 0 3 449.574 4.720 40 0 IJABHN Cc1nc([C@H]2CCCN(Cc3ccc4ncccc4c3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765146 556909765 /nfs/dbraw/zinc/90/97/65/556909765.db2.gz KRXZBRDFZXJETJ-QFIPXVFZSA-N 0 3 437.547 4.965 40 0 IJABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=N[C@H]1c1ccccc1 ZINC000408994387 556913028 /nfs/dbraw/zinc/91/30/28/556913028.db2.gz ZJTCRLOZMMBFAA-FQEVSTJZSA-N 0 3 443.956 4.549 40 0 IJABHN COc1ccc(CN(Cc2ccc(NC(C)=O)cc2)[C@@H]2COC[C@H]2c2ccc(F)cc2)cc1 ZINC000072341893 556914451 /nfs/dbraw/zinc/91/44/51/556914451.db2.gz UMNYXDNBWZHLIP-RRPNLBNLSA-N 0 3 448.538 4.978 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC[C@@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cc1 ZINC000072346169 556917528 /nfs/dbraw/zinc/91/75/28/556917528.db2.gz XKBLIBUTYZDCJE-LJQANCHMSA-N 0 3 435.959 4.717 40 0 IJABHN CC(C)NC(=O)c1ccccc1NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000409024260 556923288 /nfs/dbraw/zinc/92/32/88/556923288.db2.gz IRMKHJZKNMHKIS-UHFFFAOYSA-N 0 3 427.548 4.635 40 0 IJABHN CCn1cc(CN2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)c(C)n1 ZINC000072371599 556939860 /nfs/dbraw/zinc/93/98/60/556939860.db2.gz STIDTHZDJSFBBP-KRWDZBQOSA-N 0 3 447.505 4.564 40 0 IJABHN CCn1cc(CN2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)c(C)n1 ZINC000072371599 556939863 /nfs/dbraw/zinc/93/98/63/556939863.db2.gz STIDTHZDJSFBBP-KRWDZBQOSA-N 0 3 447.505 4.564 40 0 IJABHN COc1ccc(NC(=O)CC2C(=O)N(CCC3=CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019962057 556955657 /nfs/dbraw/zinc/95/56/57/556955657.db2.gz QSXMSZUWZPXTOB-HSZRJFAPSA-N 0 3 444.535 4.852 40 0 IJABHN Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@H]4CCCN(C5CCCC5)C4)nc32)c1 ZINC000072380024 556957272 /nfs/dbraw/zinc/95/72/72/556957272.db2.gz WSEUYOUHMHUULF-QFIPXVFZSA-N 0 3 432.612 4.737 40 0 IJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@H](c2n[nH]cc2-c2ccc(F)cc2)C1 ZINC000585261920 557197739 /nfs/dbraw/zinc/19/77/39/557197739.db2.gz UMZZXZFHQAHTCM-NRFANRHFSA-N 0 3 432.543 4.831 40 0 IJABHN COc1ccccc1-c1cccc(CN2CCOC[C@H](Cc3ccc4cc[nH]c4n3)C2)c1 ZINC000585261957 557197895 /nfs/dbraw/zinc/19/78/95/557197895.db2.gz NIYJZVZLFHQOLX-OAQYLSRUSA-N 0 3 427.548 4.930 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC[C@@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585270073 557214219 /nfs/dbraw/zinc/21/42/19/557214219.db2.gz DKISCDAKSDPUPM-QFIPXVFZSA-N 0 3 437.367 4.748 40 0 IJABHN COc1ccc(-c2nn(-c3ccccc3)c3[nH]c(=O)c(CNCc4ccccc4)cc23)cc1 ZINC000013564710 557341026 /nfs/dbraw/zinc/34/10/26/557341026.db2.gz SUNIHTKSNUQKFN-UHFFFAOYSA-N 0 3 436.515 4.679 40 0 IJABHN CSc1nnc(NC(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)s1 ZINC000224180257 557571722 /nfs/dbraw/zinc/57/17/22/557571722.db2.gz ZRNPHPGKIHBVDI-UHFFFAOYSA-N 0 3 438.622 4.967 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@@H](Cc2ccc3ncccc3c2)C1 ZINC000257282436 568703365 /nfs/dbraw/zinc/70/33/65/568703365.db2.gz OTTUMDMZJZMGFB-QHCPKHFHSA-N 0 3 443.591 4.552 40 0 IJABHN O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1ccc(CN2CCCC2)cc1 ZINC000010359482 569223760 /nfs/dbraw/zinc/22/37/60/569223760.db2.gz NCCJTAJBLIDRGM-UHFFFAOYSA-N 0 3 427.548 4.507 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019235951 569226153 /nfs/dbraw/zinc/22/61/53/569226153.db2.gz QXFYHGYGINJKEF-WNCULLNHSA-N 0 3 443.591 4.711 40 0 IJABHN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(C/C(C)=C/c2ccccc2)C1 ZINC000019702141 569231801 /nfs/dbraw/zinc/23/18/01/569231801.db2.gz JLXLZPABCYCXJY-POLXVDLBSA-N 0 3 435.593 4.565 40 0 IJABHN CCCOc1ccccc1CN1CC[C@@H](c2ncc(C(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000019758034 569237387 /nfs/dbraw/zinc/23/73/87/569237387.db2.gz SBQHOOFBGLGDQN-HXUWFJFHSA-N 0 3 448.542 4.955 40 0 IJABHN Cc1nc(C2CCN(Cc3ccc4ncccc4c3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764179 569238331 /nfs/dbraw/zinc/23/83/31/569238331.db2.gz GKLARTRUBUNALE-UHFFFAOYSA-N 0 3 437.547 4.965 40 0 IJABHN COc1ccc(CN2CCC[C@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)cc1 ZINC000019705261 569327557 /nfs/dbraw/zinc/32/75/57/569327557.db2.gz QGGLWXFIJNIIAL-RUZDIDTESA-N 0 3 438.593 4.913 40 0 IJABHN Cc1ccccc1CN1CCC[C@@H](c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)C1 ZINC000019765483 569329106 /nfs/dbraw/zinc/32/91/06/569329106.db2.gz BANHWKKKIDUKLC-JOCHJYFZSA-N 0 3 432.543 4.542 40 0 IJABHN Cc1cc(F)ccc1Nc1cc(-c2cccc(OC(F)(F)F)c2)nc(NCCN(C)C)n1 ZINC000328998597 569583519 /nfs/dbraw/zinc/58/35/19/569583519.db2.gz JTGRSGMVORBNOX-UHFFFAOYSA-N 0 3 449.452 5.207 40 0 IJABHN Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)N[C@H](C(=O)NC2CCCC2)C3)no1 ZINC000049171902 291392859 /nfs/dbraw/zinc/39/28/59/291392859.db2.gz NQDKQAIFWJLQBH-GOTSBHOMSA-N 0 3 434.584 4.646 40 0 biogenic,in-vitro IJABHN Cc1cc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C1CCCCC1 ZINC000223264236 193958889 /nfs/dbraw/zinc/95/88/89/193958889.db2.gz KOPDWSQQYCYKRW-PKTZIBPZSA-N 0 3 425.646 4.539 40 0 IJABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1cccc2ccccc21 ZINC000020634810 520478922 /nfs/dbraw/zinc/47/89/22/520478922.db2.gz GEJXANOZCRNCJN-OAQYLSRUSA-N 0 3 428.488 4.669 40 0 IJABHN COc1cc([C@@H](C)O)ccc1OCCCN1CCC(c2noc3cc(F)ccc32)CC1 ZINC000003991231 555952098 /nfs/dbraw/zinc/95/20/98/555952098.db2.gz SBKZGLWZGZQVHA-MRXNPFEDSA-N 0 3 428.504 4.677 40 0 in-vitro IJABHN COc1cc(C[NH+]2CCC(c3cc(=O)[n-]c(-c4cccc(C)c4)n3)CC2)cc(OC)c1OC ZINC000013227600 556500049 /nfs/dbraw/zinc/50/00/49/556500049.db2.gz LPDJHZOVAUXZFA-UHFFFAOYSA-N 0 3 449.551 4.563 40 0 IJABHN CC[C@@H](CO)NCc1cc(Br)c(OCc2ccc(Cl)cc2)c(OC)c1 ZINC000016611357 556618069 /nfs/dbraw/zinc/61/80/69/556618069.db2.gz PRDZLRDDMPKQLM-INIZCTEOSA-N 0 3 428.754 4.551 40 0 IJABHN CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2ccccn2)CC1 ZINC000257226861 556708449 /nfs/dbraw/zinc/70/84/49/556708449.db2.gz FMMIAFGRLKMRHB-UHFFFAOYSA-N 0 3 431.555 4.849 40 0 IJABHN O=C(c1ccccc1CN1CCCC1)N1CCC2(CO[C@@H](Cc3cccc(F)c3)C2)CC1 ZINC000257241045 556710415 /nfs/dbraw/zinc/71/04/15/556710415.db2.gz HWJUBVJRFCKZKK-DEOSSOPVSA-N 0 3 436.571 4.676 40 0 IJABHN Cc1[nH]c2cc(C)ccc2c1[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2 ZINC000019219606 556714087 /nfs/dbraw/zinc/71/40/87/556714087.db2.gz YJFWRHJPFLVMIQ-FGZHOGPDSA-N 0 3 440.971 4.822 40 0 IJABHN Cc1[nH]c2cc(C)ccc2c1[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(C)c(C)cc1O2 ZINC000019219598 556714117 /nfs/dbraw/zinc/71/41/17/556714117.db2.gz IWTSXYYPRIADLF-ZEQRLZLVSA-N 0 3 434.580 4.786 40 0 IJABHN Cc1cc(C)cc(-c2cccc(CC3(C(=O)N[C@H](C)CN4CCCC4)CCOCC3)c2)c1 ZINC000257295142 556716705 /nfs/dbraw/zinc/71/67/05/556716705.db2.gz QXEGKTAQOAVIHX-HSZRJFAPSA-N 0 3 434.624 4.910 40 0 IJABHN COc1c(C)cccc1CN1CCC([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000019235932 556720579 /nfs/dbraw/zinc/72/05/79/556720579.db2.gz BITJWJQKBCWMBB-RUZDIDTESA-N 0 3 447.554 4.921 40 0 IJABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2sccc2C)C1 ZINC000019238620 556723864 /nfs/dbraw/zinc/72/38/64/556723864.db2.gz SVWNNNQRULKZAG-CYFREDJKSA-N 0 3 435.593 4.843 40 0 IJABHN Cn1cc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)c2ccccc21 ZINC000019290372 556730637 /nfs/dbraw/zinc/73/06/37/556730637.db2.gz IDRXPKCDOQGFRD-UIOOFZCWSA-N 0 3 442.559 4.716 40 0 IJABHN O=C(c1ccco1)N1CCc2c3ccccc3[nH]c2C12CCN(Cc1ccccc1)CC2 ZINC000019371900 556748806 /nfs/dbraw/zinc/74/88/06/556748806.db2.gz CHEBDLWKDNCBRN-UHFFFAOYSA-N 0 3 425.532 4.951 40 0 IJABHN O=C(NCc1cccc(F)c1)c1cc([C@@H]2CCCN(Cc3ccnc4ccccc34)C2)no1 ZINC000019376084 556751905 /nfs/dbraw/zinc/75/19/05/556751905.db2.gz RPIWKABZGXLTAV-HXUWFJFHSA-N 0 3 444.510 4.672 40 0 IJABHN CC(C)c1ncc(CN2CC[C@@](Cc3cccc(-c4cccs4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019453978 556764419 /nfs/dbraw/zinc/76/44/19/556764419.db2.gz SVXCMNFFERKRAD-SANMLTNESA-N 0 3 448.636 4.852 40 0 IJABHN Cc1ccc2cc(CN(CCN3CCCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000001352989 556780907 /nfs/dbraw/zinc/78/09/07/556780907.db2.gz MMWNFXRAIIOGOI-UHFFFAOYSA-N 0 3 438.959 4.620 40 0 IJABHN COCCOc1cccc(CN2CCC(c3cc(C(F)F)c4c(C)noc4n3)CC2)c1 ZINC000019565056 556805948 /nfs/dbraw/zinc/80/59/48/556805948.db2.gz DVWFHOVBNVUQOG-UHFFFAOYSA-N 0 3 431.483 4.874 40 0 IJABHN Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CCN(Cc5ccccc5)CC4)nc32)cc1 ZINC000019703790 556862576 /nfs/dbraw/zinc/86/25/76/556862576.db2.gz OVVLLCSOUAMOAV-UHFFFAOYSA-N 0 3 440.591 4.952 40 0 IJABHN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)cc1 ZINC000072330488 556906190 /nfs/dbraw/zinc/90/61/90/556906190.db2.gz WCILFSWZHNERAL-GJZUVCINSA-N 0 3 429.564 4.782 40 0 IJABHN COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc3ncccc3c2)C1 ZINC000072352459 556924203 /nfs/dbraw/zinc/92/42/03/556924203.db2.gz SAYDPTZVLFZRFF-FQEVSTJZSA-N 0 3 445.588 4.815 40 0 IJABHN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cn(C)c3ccc(F)cc23)C1 ZINC000072352533 556924438 /nfs/dbraw/zinc/92/44/38/556924438.db2.gz NPKUJXSLQNGGCI-OAHLLOKOSA-N 0 3 436.556 4.618 40 0 IJABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1cccnc1N(C)C ZINC000072370694 556935907 /nfs/dbraw/zinc/93/59/07/556935907.db2.gz QJZGBTZDDOCTLQ-LJQANCHMSA-N 0 3 436.625 4.709 40 0 IJABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1cccnc1N(C)C ZINC000072370693 556935949 /nfs/dbraw/zinc/93/59/49/556935949.db2.gz QJZGBTZDDOCTLQ-IBGZPJMESA-N 0 3 436.625 4.709 40 0 IJABHN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H]3c3cc(Nc4ccc(F)cn4)cc(C)n3)c2c1 ZINC000072372752 556944288 /nfs/dbraw/zinc/94/42/88/556944288.db2.gz QYRVSFRGEBVJEH-OAQYLSRUSA-N 0 3 430.487 4.830 40 0 IJABHN CCOc1ccc(CN2CCC[C@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1CO ZINC000072376105 556953945 /nfs/dbraw/zinc/95/39/45/556953945.db2.gz HZVABLYHAAVFTC-NRFANRHFSA-N 0 3 432.568 4.799 40 0 IJABHN CCn1ncc(Cl)c1C(=O)NC1CCN(CC2(c3ccc(Cl)cc3)CCC2)CC1 ZINC000072393404 556964831 /nfs/dbraw/zinc/96/48/31/556964831.db2.gz YWVCYPJUCHIDDU-UHFFFAOYSA-N 0 3 435.399 4.526 40 0 IJABHN COc1cccc2ccc(CN3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)nc21 ZINC000072398599 556970355 /nfs/dbraw/zinc/97/03/55/556970355.db2.gz UKJFZHIOZWBICV-RDPSFJRHSA-N 0 3 446.595 4.754 40 0 IJABHN O=C(Cc1cccc(F)c1)N[C@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000585105621 557037058 /nfs/dbraw/zinc/03/70/58/557037058.db2.gz FPILDHWAURMEHX-VWLOTQADSA-N 0 3 429.539 4.558 40 0 IJABHN O=C(Cc1cccc(F)c1)N[C@@H]1CC2(CCN(Cc3cccnc3)CC2)c2ccccc21 ZINC000585105620 557037195 /nfs/dbraw/zinc/03/71/95/557037195.db2.gz FPILDHWAURMEHX-RUZDIDTESA-N 0 3 429.539 4.558 40 0 IJABHN CCOc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102739548 557132226 /nfs/dbraw/zinc/13/22/26/557132226.db2.gz BVWGGNMNALAHCY-XPWALMASSA-N 0 3 448.906 4.790 40 0 IJABHN CCN(CC)C(=O)C[C@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)Oc2ccccc21 ZINC000096053475 557166952 /nfs/dbraw/zinc/16/69/52/557166952.db2.gz ONQRUUSOMSDKBC-QFIPXVFZSA-N 0 3 436.596 4.855 40 0 IJABHN CN1CCC(Oc2ccc(NC(=O)C3CCN(Cc4ccccc4Cl)CC3)cc2)CC1 ZINC000219411587 557243394 /nfs/dbraw/zinc/24/33/94/557243394.db2.gz LUQVPVHRYSCNRW-UHFFFAOYSA-N 0 3 442.003 4.664 40 0 IJABHN CC(C)Oc1ccc(CN[C@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)cc1 ZINC000100744463 557275373 /nfs/dbraw/zinc/27/53/73/557275373.db2.gz WFGLONACUPIZEB-VWLOTQADSA-N 0 3 431.540 4.771 40 0 IJABHN COc1ccc([C@H]2N(c3ccccc3)OC3=C([O-])N(c4ccc(Cl)cc4)C(=O)[C@]32C)cc1 ZINC000102696260 557305528 /nfs/dbraw/zinc/30/55/28/557305528.db2.gz FGXUFWKNTABFFK-SLSDLSHTSA-N 0 3 448.906 4.790 40 0 IJABHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@]32C)cc1 ZINC000102696260 557305530 /nfs/dbraw/zinc/30/55/30/557305530.db2.gz FGXUFWKNTABFFK-SLSDLSHTSA-N 0 3 448.906 4.790 40 0 IJABHN CCc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccc(C)cc3)cc2c1 ZINC000013511805 557332609 /nfs/dbraw/zinc/33/26/09/557332609.db2.gz QPDMHQHGEMPAQH-UHFFFAOYSA-N 0 3 432.568 4.529 40 0 IJABHN CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@H]2CCCCN2Cc2ccccc2)CC1 ZINC000072216489 557342941 /nfs/dbraw/zinc/34/29/41/557342941.db2.gz UFYVVWLUODGGAV-HSZRJFAPSA-N 0 3 436.600 4.866 40 0 IJABHN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222596321 557358417 /nfs/dbraw/zinc/35/84/17/557358417.db2.gz DUYUUWXIRXOCIH-KRWDZBQOSA-N 0 3 445.350 4.572 40 0 IJABHN COc1ccc(CCNCc2cc(Br)cc(Br)c2OC)cc1 ZINC000016216604 557471172 /nfs/dbraw/zinc/47/11/72/557471172.db2.gz ZXHWAGXOVAKOAT-UHFFFAOYSA-N 0 3 429.152 4.561 40 0 IJABHN CN(C)c1ccc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000223887289 557525284 /nfs/dbraw/zinc/52/52/84/557525284.db2.gz GLCNJIUVHQGSAF-RPWUZVMVSA-N 0 3 440.576 4.510 40 0 IJABHN O=C(CSCc1ccc(Br)cc1)NCc1ccccc1CN1CCCCC1 ZINC000224807976 557653506 /nfs/dbraw/zinc/65/35/06/557653506.db2.gz CXJLFYJDBCGRKJ-UHFFFAOYSA-N 0 3 447.442 4.985 40 0 IJABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccccc2Cl)CCOCC1 ZINC000225576984 557745933 /nfs/dbraw/zinc/74/59/33/557745933.db2.gz KQTYTVALBKLKNY-UHFFFAOYSA-N 0 3 428.960 4.502 40 0 IJABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4ccc5c(c4)OCCO5)C3)c2)cc1 ZINC000257281053 568702768 /nfs/dbraw/zinc/70/27/68/568702768.db2.gz ONKSWMLCEYMOMX-IBGZPJMESA-N 0 3 445.519 4.543 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@H](Cc2ccc3ncccc3c2)C1 ZINC000257282435 568703421 /nfs/dbraw/zinc/70/34/21/568703421.db2.gz OTTUMDMZJZMGFB-HSZRJFAPSA-N 0 3 443.591 4.552 40 0 IJABHN CCN1CCN(Cc2ccc3[nH]ccc3c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257309655 568715464 /nfs/dbraw/zinc/71/54/64/568715464.db2.gz UBVJSMDVJXCCKH-RUZDIDTESA-N 0 3 438.575 4.753 40 0 IJABHN Cc1ccc2n[nH]c(C(=O)N3CCC[C@H](c4cc(Nc5nccs5)cc(C)n4)C3)c2c1 ZINC000257321204 568720562 /nfs/dbraw/zinc/72/05/62/568720562.db2.gz WAPGGBDPXTYLAL-INIZCTEOSA-N 0 3 432.553 4.795 40 0 IJABHN CCn1cc(CN2CCC(c3cncc(Nc4ccccn4)n3)CC2)c2cc(OC)ccc21 ZINC000257335359 568726447 /nfs/dbraw/zinc/72/64/47/568726447.db2.gz YJVKTQFQFKIJIM-UHFFFAOYSA-N 0 3 442.567 4.978 40 0 IJABHN COc1ccccc1NC(=O)CC1C(=O)N([C@@H]2CCC[C@H](C)[C@@H]2C)c2nc3ccccc3n21 ZINC000248121132 569207179 /nfs/dbraw/zinc/20/71/79/569207179.db2.gz AWIKYMLKYWIXID-XBDGOBDMSA-N 0 3 446.551 4.786 40 0 IJABHN Cc1cc(CN2CCC[C@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc(C)c1O ZINC000019569992 569226940 /nfs/dbraw/zinc/22/69/40/569226940.db2.gz FSKZJEKNOIJYHI-NZQKXSOJSA-N 0 3 435.593 4.849 40 0 IJABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc1 ZINC000019555090 569226999 /nfs/dbraw/zinc/22/69/99/569226999.db2.gz JWGROBAGJQJLRC-PXDATVDWSA-N 0 3 433.527 4.613 40 0 IJABHN Cc1cc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc(C)c1O ZINC000019569983 569227096 /nfs/dbraw/zinc/22/70/96/569227096.db2.gz ANWDYKFITUTCDM-RCZVLFRGSA-N 0 3 447.554 4.926 40 0 IJABHN Cc1nc2sccn2c1CN1CC[C@H](c2cc(COc3cccc(Cl)c3)n[nH]2)C1 ZINC000019704364 569233261 /nfs/dbraw/zinc/23/32/61/569233261.db2.gz NGWGAQKSIINYJP-HNNXBMFYSA-N 0 3 427.961 4.649 40 0 IJABHN COc1cc(C)ccc1CN1CC[C@@](Cc2cc(C3CCCCC3)no2)(C(=O)N(C)C)C1 ZINC000019739229 569236541 /nfs/dbraw/zinc/23/65/41/569236541.db2.gz LFQMXPDQTYLCFV-SANMLTNESA-N 0 3 439.600 4.562 40 0 IJABHN CCn1cc(CN2CCC[C@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c2ccc(F)cc21 ZINC000019762975 569237920 /nfs/dbraw/zinc/23/79/20/569237920.db2.gz XKNDSFIABMYRCR-IBGZPJMESA-N 0 3 449.574 4.514 40 0 IJABHN CC[C@H](NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(OC)c1 ZINC000044856775 569249250 /nfs/dbraw/zinc/24/92/50/569249250.db2.gz UTHOPGUKPIFXRX-FPOVZHCZSA-N 0 3 430.976 4.837 40 0 IJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000009463094 569296508 /nfs/dbraw/zinc/29/65/08/569296508.db2.gz KRQORUMZGUNJPE-ZRBLBEILSA-N 0 3 432.907 4.954 40 0 IJABHN CCOC(=O)c1[nH]c2ccc(OCC)cc2c1NC(=O)CN1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000009480012 569296676 /nfs/dbraw/zinc/29/66/76/569296676.db2.gz UBAWOGNUVBMMFA-LMKMVOKYSA-N 0 3 441.572 4.582 40 0 IJABHN O=C1[C@@H](C2CCN(Cc3ccc4nccnc4c3)CC2)CCCCN1Cc1ccccc1 ZINC000019703475 569327312 /nfs/dbraw/zinc/32/73/12/569327312.db2.gz SHIYVRVNIZMBLY-XMMPIXPASA-N 0 3 428.580 4.671 40 0 IJABHN O=C1CSC2(CCN(CCCN3c4ccccc4Sc4ccc(Cl)cc43)CC2)N1 ZINC000000538363 132227634 /nfs/dbraw/zinc/22/76/34/132227634.db2.gz CFOYBMUYCBSDAL-UHFFFAOYSA-N 0 3 446.041 4.988 40 0 in-man IJABHN CCOC(=O)C1=C(C)N(c2ccccc2)C(=O)CC1C(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000020634796 520478176 /nfs/dbraw/zinc/47/81/76/520478176.db2.gz ZDMARLANJIAGAU-INIZCTEOSA-N 0 3 447.318 4.822 40 0 IJABHN COc1ccc(-c2[nH]c3ncccc3c2CN2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000012144238 523073042 /nfs/dbraw/zinc/07/30/42/523073042.db2.gz KTMKRRQQOZHEBX-UHFFFAOYSA-N 0 3 429.520 4.814 40 0 IJABHN O=C(NCCSCc1c(F)cccc1Cl)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038853336 556625330 /nfs/dbraw/zinc/62/53/30/556625330.db2.gz MILDUQJUPZVTOR-KRWDZBQOSA-N 0 3 438.971 4.880 40 0 IJABHN COc1cccc2ccc(CN3CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)nc21 ZINC000019081899 556696868 /nfs/dbraw/zinc/69/68/68/556696868.db2.gz UKJFZHIOZWBICV-GBXCKJPGSA-N 0 3 446.595 4.754 40 0 IJABHN Cc1[nH]c2ccccc2c1[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)c(C)cc1O2 ZINC000019125609 556703156 /nfs/dbraw/zinc/70/31/56/556703156.db2.gz WSJFAQGUISZBKH-FGZHOGPDSA-N 0 3 440.971 4.822 40 0 IJABHN CC1(C(=O)N2CCOC[C@H](Cc3ccc4ccoc4c3)C2)CCN(Cc2ccccc2)CC1 ZINC000257319114 556704228 /nfs/dbraw/zinc/70/42/28/556704228.db2.gz VQVGQACDTORZON-XMMPIXPASA-N 0 3 446.591 4.753 40 0 IJABHN C[C@@H]1CCCCN1CCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257229298 556708987 /nfs/dbraw/zinc/70/89/87/556708987.db2.gz FXNWDTIDERCVJW-OAQYLSRUSA-N 0 3 438.587 4.823 40 0 IJABHN Cc1nc([C@H]2CCCN(Cc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257265579 556713061 /nfs/dbraw/zinc/71/30/61/556713061.db2.gz LZGLTRMDKCVYIZ-NRFANRHFSA-N 0 3 432.543 4.793 40 0 IJABHN Cc1[nH]c2cc(C)ccc2c1[C@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(C)c(C)cc1O2 ZINC000019219601 556714080 /nfs/dbraw/zinc/71/40/80/556714080.db2.gz IWTSXYYPRIADLF-BJKOFHAPSA-N 0 3 434.580 4.786 40 0 IJABHN COc1ccccc1CN1CCC([C@H](NC(=O)c2ccccc2C)c2ccccn2)CC1 ZINC000019236877 556721839 /nfs/dbraw/zinc/72/18/39/556721839.db2.gz YQRBOCRLDVCOFT-SANMLTNESA-N 0 3 429.564 4.782 40 0 IJABHN COc1ccc(NCc2nnc(SCCN3CCCCC3)n2-c2ccc(C)cc2)cc1 ZINC000000925390 556752639 /nfs/dbraw/zinc/75/26/39/556752639.db2.gz KMBNRTBTIZHUAM-UHFFFAOYSA-N 0 3 437.613 4.774 40 0 IJABHN CC(C)c1ncc(CN2CCC[C@@](Cc3ccccc3-c3ccccc3)(C(N)=O)C2)cn1 ZINC000019454024 556764359 /nfs/dbraw/zinc/76/43/59/556764359.db2.gz SBPCIEMDMYDHMB-MHZLTWQESA-N 0 3 428.580 4.577 40 0 IJABHN Cc1cccc2cc(CN(CCN3CCCC3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c12 ZINC000001378316 556795238 /nfs/dbraw/zinc/79/52/38/556795238.db2.gz KBZUZUTXVGVLCQ-UHFFFAOYSA-N 0 3 438.959 4.620 40 0 IJABHN CCOC(=O)c1[nH]c2ccc(F)cc2c1NC(=O)[C@H](C)N1C[C@@]2(C)C[C@@H]1CC(C)(C)C2 ZINC000002309499 556799647 /nfs/dbraw/zinc/79/96/47/556799647.db2.gz ZTWPZFHRGYWZSE-ZYXJOJAPSA-N 0 3 429.536 4.711 40 0 IJABHN Cn1cc(CN2CCC(c3ccc(-c4ccc(C(N)=O)cc4)cn3)CC2)c2cc(F)ccc21 ZINC000019688085 556842775 /nfs/dbraw/zinc/84/27/75/556842775.db2.gz HAGUTNYJLOLJLZ-UHFFFAOYSA-N 0 3 442.538 4.858 40 0 IJABHN Cc1cccc(CNc2n[nH]c3nc([C@@H]4CCCN(Cc5ccccc5F)C4)ccc23)n1 ZINC000019742575 556886851 /nfs/dbraw/zinc/88/68/51/556886851.db2.gz UEFJHELKWRXETO-LJQANCHMSA-N 0 3 430.531 4.792 40 0 IJABHN COc1cccc(CNc2cc(CC3CCN(Cc4cnc(C)s4)CC3)nc(C)n2)c1 ZINC000019758861 556902658 /nfs/dbraw/zinc/90/26/58/556902658.db2.gz LECLTOLLVSIBDN-UHFFFAOYSA-N 0 3 437.613 4.625 40 0 IJABHN COc1cc(CN2CCC[C@@H](c3nnc(-c4ccc(C)s4)o3)C2)cc(OC)c1OC ZINC000072390101 556960275 /nfs/dbraw/zinc/96/02/75/556960275.db2.gz CNDRJTQTRFZJLG-MRXNPFEDSA-N 0 3 429.542 4.512 40 0 IJABHN COc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)N2CCCC2)c2ccccc2O3)cc1 ZINC000096053222 557166822 /nfs/dbraw/zinc/16/68/22/557166822.db2.gz LIMRHUFWHFKOQU-JOCHJYFZSA-N 0 3 434.580 4.609 40 0 IJABHN CC(C)NC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cnn(C)c2)CC1 ZINC000072345120 557377432 /nfs/dbraw/zinc/37/74/32/557377432.db2.gz NKDDGFKIOGBMHG-UHFFFAOYSA-N 0 3 448.586 4.576 40 0 IJABHN CCOC(=O)C1(c2ccc(NC(=O)[C@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc2)CC1 ZINC000225904670 557790057 /nfs/dbraw/zinc/79/00/57/557790057.db2.gz XNTSWQYGCFPWML-IBGZPJMESA-N 0 3 440.971 4.785 40 0 IJABHN Cc1nccn1CCCC(=O)N1CCC[C@@H](c2cc(Nc3cccc(F)c3)cc(C)n2)C1 ZINC000257259393 568692753 /nfs/dbraw/zinc/69/27/53/568692753.db2.gz KYEFFLWEQFSJHC-HXUWFJFHSA-N 0 3 435.547 4.964 40 0 IJABHN Cc1cccc(CN2CCC(Cc3cccc(-c4ccncc4)c3)(C(=O)NC(C)C)CC2)n1 ZINC000257288569 568706362 /nfs/dbraw/zinc/70/63/62/568706362.db2.gz PUSMSTJVSWCSLI-UHFFFAOYSA-N 0 3 442.607 4.802 40 0 IJABHN COc1ccc(CC(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)cc1OC ZINC000257326450 568723121 /nfs/dbraw/zinc/72/31/21/568723121.db2.gz WXGPHVBLBHILSL-LJQANCHMSA-N 0 3 449.526 4.849 40 0 IJABHN O=C(c1cnc2cc(Cl)ccc2c1[O-])N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198793 568921632 /nfs/dbraw/zinc/92/16/32/568921632.db2.gz IKNIRVYOYACPMV-QOKUDNMUSA-N 0 3 437.971 4.629 40 0 IJABHN O=C(c1cnc2cc(Cl)ccc2c1[O-])N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@H]21 ZINC000257198793 568921634 /nfs/dbraw/zinc/92/16/34/568921634.db2.gz IKNIRVYOYACPMV-QOKUDNMUSA-N 0 3 437.971 4.629 40 0 IJABHN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)c1 ZINC000019565031 569227105 /nfs/dbraw/zinc/22/71/05/569227105.db2.gz BVIJHVMBGZKGKJ-PXDATVDWSA-N 0 3 433.527 4.613 40 0 IJABHN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(C/C(C)=C/c2ccccc2)C1 ZINC000019702139 569231844 /nfs/dbraw/zinc/23/18/44/569231844.db2.gz JLXLZPABCYCXJY-PHKMIBKXSA-N 0 3 435.593 4.565 40 0 IJABHN COCc1ccc(OC)c(CN2CC[C@@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)c1 ZINC000019704373 569233328 /nfs/dbraw/zinc/23/33/28/569233328.db2.gz PMQLKCSBIXSVRG-GOSISDBHSA-N 0 3 441.959 4.787 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000011666673 569302864 /nfs/dbraw/zinc/30/28/64/569302864.db2.gz MPNFCRMMSSJXAV-ACRUOGEOSA-N 0 3 438.405 4.757 40 0 IJABHN COc1ccc(-c2cc([C@H]3CN4CC[C@H]3C[C@@H]4COC(=O)Nc3ccccc3)n(C)n2)cc1 ZINC000008635873 291391163 /nfs/dbraw/zinc/39/11/63/291391163.db2.gz IOCMTMLZCRHJBH-WPYKKVEZSA-N 0 3 446.551 4.522 40 0 biogenic,in-vitro IJABHN COc1ccc(-c2cccc(CN3CCC[C@H]([C@@H](NC(C)=O)c4nccs4)C3)c2)cc1 ZINC000012157700 523138957 /nfs/dbraw/zinc/13/89/57/523138957.db2.gz RBYHDNJXBCXYID-LADGPHEKSA-N 0 3 435.593 4.908 40 0 IJABHN CCN(CC)CCOC(=O)C(OCCOc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000004430117 555994879 /nfs/dbraw/zinc/99/48/79/555994879.db2.gz PCAWPUMDUUHXDV-UHFFFAOYSA-N 0 3 447.575 4.911 40 0 IJABHN O=C(NCCSCc1c(F)cccc1Cl)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000039747449 556438496 /nfs/dbraw/zinc/43/84/96/556438496.db2.gz ZJQXIFCRAVWVAW-UHFFFAOYSA-N 0 3 438.971 4.880 40 0 IJABHN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c(C)c1 ZINC000013674145 556553616 /nfs/dbraw/zinc/55/36/16/556553616.db2.gz XNEGFOXOYAYIET-UHFFFAOYSA-N 0 3 428.532 4.982 40 0 IJABHN COc1cc(CNC[C@H]2CCCO2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016195439 556589861 /nfs/dbraw/zinc/58/98/61/556589861.db2.gz VIRNYZDJXDJZRJ-QGZVFWFLSA-N 0 3 440.765 4.959 40 0 IJABHN COc1cc(CNC[C@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000016195702 556590100 /nfs/dbraw/zinc/59/01/00/556590100.db2.gz XHQBQBNAKVGDBN-NRFANRHFSA-N 0 3 442.353 4.860 40 0 IJABHN COc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016576465 556616464 /nfs/dbraw/zinc/61/64/64/556616464.db2.gz VLVMLXDMJUIQOL-LLVKDONJSA-N 0 3 449.172 4.814 40 0 IJABHN CC1CCN(C[C@]2(C)COc3c(Br)cc(Br)cc3C2=O)CC1 ZINC000016609172 556617326 /nfs/dbraw/zinc/61/73/26/556617326.db2.gz DUKBVCZXYXQIDA-QGZVFWFLSA-N 0 3 431.168 4.525 40 0 IJABHN COc1cccc(-c2ccc3c(c2)O[C@H]2CN(CCCc4ccccc4)C[C@H]2N(C)C3=O)c1 ZINC000514290206 556626091 /nfs/dbraw/zinc/62/60/91/556626091.db2.gz VTANEDZDTSWHJX-VPUSJEBWSA-N 0 3 442.559 4.512 40 0 biogenic,in-vitro IJABHN O=C(CC1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964053 556631287 /nfs/dbraw/zinc/63/12/87/556631287.db2.gz OVMFRTYAZKZACH-QFIPXVFZSA-N 0 3 432.499 4.982 40 0 IJABHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c(Cl)c1 ZINC000039964166 556631407 /nfs/dbraw/zinc/63/14/07/556631407.db2.gz CLIFWFCUIUSCPX-OAQYLSRUSA-N 0 3 445.910 4.510 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000100982671 556633988 /nfs/dbraw/zinc/63/39/88/556633988.db2.gz YXEPNMZUECRAEI-NJYVYQBISA-N 0 3 449.304 4.500 40 0 IJABHN CN(C)CCNc1ncnc2c1c(-c1ccccc1)cn2-c1ccc(Br)cc1 ZINC000016768354 556640049 /nfs/dbraw/zinc/64/00/49/556640049.db2.gz YKYDDXQTEBQSEF-UHFFFAOYSA-N 0 3 436.357 4.824 40 0 IJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000101096363 556664740 /nfs/dbraw/zinc/66/47/40/556664740.db2.gz VVVMRLYSMZETSR-VABKMULXSA-N 0 3 448.906 4.790 40 0 IJABHN CC(C)(C)C(=O)N[C@H](C[C@H]1CCCCN1Cc1ccc2c(c1)OCCO2)c1ccccn1 ZINC000019081734 556696413 /nfs/dbraw/zinc/69/64/13/556696413.db2.gz WKRLUOBMVGYSDK-IFMALSPDSA-N 0 3 437.584 4.501 40 0 IJABHN c1cnc(Oc2cccc(CN3CCOC[C@H](Cc4cncc5ccccc54)C3)c2)nc1 ZINC000257313074 556703518 /nfs/dbraw/zinc/70/35/18/556703518.db2.gz UQXXRWHOLGVZQG-OAQYLSRUSA-N 0 3 426.520 4.508 40 0 IJABHN CC1(C(=O)N2CC[C@H](Cc3ccc4ncccc4c3)C2)CCN(Cc2ccccc2)CC1 ZINC000257324902 556704918 /nfs/dbraw/zinc/70/49/18/556704918.db2.gz WQRPSKCNFMVVBS-XMMPIXPASA-N 0 3 427.592 4.928 40 0 IJABHN Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(Cc3ccncc3)CC2)c1 ZINC000257244737 556710692 /nfs/dbraw/zinc/71/06/92/556710692.db2.gz IMPFQVDSZGITIR-UHFFFAOYSA-N 0 3 427.592 4.970 40 0 IJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@@H](c2nccnc2Oc2ccccc2)C1 ZINC000257252536 556711608 /nfs/dbraw/zinc/71/16/08/556711608.db2.gz JVDFVLXNANAQPG-JOCHJYFZSA-N 0 3 442.563 4.885 40 0 IJABHN CC(=O)N1CCC[C@@H](NCc2ccc(OCc3ccccn3)cc2)[C@@H]1c1ccc(C)s1 ZINC000019217329 556712459 /nfs/dbraw/zinc/71/24/59/556712459.db2.gz ADFMJUTVRMAXRD-ILBGXUMGSA-N 0 3 435.593 4.872 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000096295818 556759788 /nfs/dbraw/zinc/75/97/88/556759788.db2.gz QBIYPRGFEDEOSX-DSITVLBTSA-N 0 3 442.515 4.835 40 0 IJABHN COc1ccc2[nH]c(CN3CCC([C@@H](NC(=O)C(C)(C)C)c4ccccn4)CC3)c(C)c2c1 ZINC000019565462 556806161 /nfs/dbraw/zinc/80/61/61/556806161.db2.gz YXWHROGIGQBZAV-RUZDIDTESA-N 0 3 448.611 4.996 40 0 IJABHN Cc1nc(C2CCN(Cc3ccccc3)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019703791 556862582 /nfs/dbraw/zinc/86/25/82/556862582.db2.gz VREXCLWQVYUAIF-UHFFFAOYSA-N 0 3 444.554 4.783 40 0 IJABHN Cc1cc(CN2CCC[C@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc(C)c1O ZINC000072330510 556906296 /nfs/dbraw/zinc/90/62/96/556906296.db2.gz ANWDYKFITUTCDM-DHLKQENFSA-N 0 3 447.554 4.926 40 0 IJABHN CN1CCC(C(=O)N2CCC[C@@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)CC1 ZINC000072350391 556920677 /nfs/dbraw/zinc/92/06/77/556920677.db2.gz FGZGHHXBBANYJO-LJQANCHMSA-N 0 3 431.502 4.815 40 0 IJABHN Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000072353749 556927908 /nfs/dbraw/zinc/92/79/08/556927908.db2.gz URBWSSYCZGMNDI-IBGZPJMESA-N 0 3 429.568 4.522 40 0 IJABHN CC(=O)N1CCC(N2CCC[C@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072358199 556931855 /nfs/dbraw/zinc/93/18/55/556931855.db2.gz UZQONRZTLUXDFI-QHCPKHFHSA-N 0 3 431.502 4.839 40 0 IJABHN CCn1cc(CN2CC[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)c(C)n1 ZINC000072371598 556939942 /nfs/dbraw/zinc/93/99/42/556939942.db2.gz PZTPFGUUIPTLNK-QGZVFWFLSA-N 0 3 447.505 4.564 40 0 IJABHN CCn1cc(CN2CC[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)c(C)n1 ZINC000072371598 556939943 /nfs/dbraw/zinc/93/99/43/556939943.db2.gz PZTPFGUUIPTLNK-QGZVFWFLSA-N 0 3 447.505 4.564 40 0 IJABHN COc1ccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c(OC)c1 ZINC000072390212 556960186 /nfs/dbraw/zinc/96/01/86/556960186.db2.gz VTBOTERQOSZLLX-HNNXBMFYSA-N 0 3 435.446 4.947 40 0 IJABHN CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1 ZINC000102759496 557132443 /nfs/dbraw/zinc/13/24/43/557132443.db2.gz WETDZGATNOLJMJ-BHIFYINESA-N 0 3 434.492 4.599 40 0 IJABHN CCN1CCN(Cc2cccc3[nH]ccc32)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000585183627 557139374 /nfs/dbraw/zinc/13/93/74/557139374.db2.gz REZDYXKONQJCIF-DEOSSOPVSA-N 0 3 438.575 4.753 40 0 IJABHN COc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NC2CCC2)c2ccccc2O3)cc1 ZINC000096053392 557166753 /nfs/dbraw/zinc/16/67/53/557166753.db2.gz BOZZERJYSNTJLY-OAQYLSRUSA-N 0 3 434.580 4.655 40 0 IJABHN Cc1cccc(CN(CCc2c[nH]c3ccccc23)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)c1 ZINC000585260807 557193522 /nfs/dbraw/zinc/19/35/22/557193522.db2.gz QQLQDDYVKWSJTR-JWQCQUIFSA-N 0 3 449.595 4.501 40 0 IJABHN Cc1ccccc1CN(CCc1c[nH]c2ccccc12)[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1O ZINC000585260804 557193641 /nfs/dbraw/zinc/19/36/41/557193641.db2.gz COKVGQURDJBOFX-JWQCQUIFSA-N 0 3 449.595 4.501 40 0 IJABHN Cc1nccn1Cc1ccccc1C(=O)N1CCC[C@H](c2[nH]ncc2-c2cccc(F)c2)C1 ZINC000585261856 557197251 /nfs/dbraw/zinc/19/72/51/557197251.db2.gz VVFACWPHCLGONG-NRFANRHFSA-N 0 3 443.526 4.789 40 0 IJABHN CC[C@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038855433 557249512 /nfs/dbraw/zinc/24/95/12/557249512.db2.gz DEEQJZBFFZPVSN-HKUYNNGSSA-N 0 3 427.976 4.719 40 0 IJABHN O=C(NCc1nc(-c2ccccc2Cl)no1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222596093 557358112 /nfs/dbraw/zinc/35/81/12/557358112.db2.gz QBDGQFKTBUTSBA-MRXNPFEDSA-N 0 3 445.350 4.572 40 0 IJABHN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cccc3ncccc23)C1 ZINC000072344828 557376945 /nfs/dbraw/zinc/37/69/45/557376945.db2.gz MJKUNXBLIMOEJH-QFIPXVFZSA-N 0 3 439.563 4.610 40 0 IJABHN O=C1C[C@@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000014671964 557449171 /nfs/dbraw/zinc/44/91/71/557449171.db2.gz XCWXYYRCULNXPQ-JOCHJYFZSA-N 0 3 441.556 4.783 40 0 IJABHN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223286305 557456065 /nfs/dbraw/zinc/45/60/65/557456065.db2.gz COBRVDSBZQBLTI-VXKWHMMOSA-N 0 3 441.000 4.838 40 0 IJABHN COCC(=O)N1CCC2(CN(Cc3ccc(Cl)cc3Cl)C[C@H]2c2ccccc2)CC1 ZINC000257201252 568665651 /nfs/dbraw/zinc/66/56/51/568665651.db2.gz AGWXKOKYZXWTCX-NRFANRHFSA-N 0 3 447.406 4.848 40 0 IJABHN Cc1nc2cc([C@@H]3CCCN3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257217282 568673159 /nfs/dbraw/zinc/67/31/59/568673159.db2.gz CYJFUOMKNFMOTI-BWKNWUBXSA-N 0 3 449.643 4.831 40 0 IJABHN c1ccc2ncc(C[C@@H]3COCCN(Cc4ccccc4OCc4cccnc4)C3)cc2c1 ZINC000257247779 568687282 /nfs/dbraw/zinc/68/72/82/568687282.db2.gz JALVGRXCLHCDBB-DEOSSOPVSA-N 0 3 439.559 4.900 40 0 IJABHN CNc1ncccc1CN1CCC2(CC1)CO[C@@H]1c3cccc(OC)c3OC(C)(C)[C@H]1C2 ZINC000257267523 568696422 /nfs/dbraw/zinc/69/64/22/568696422.db2.gz MHQIIIMMDUVVQM-RBBKRZOGSA-N 0 3 437.584 4.663 40 0 IJABHN Cc1nc([C@@H]2CCN(Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257315057 568717664 /nfs/dbraw/zinc/71/76/64/568717664.db2.gz UZSUORCLWOWFRP-LJQANCHMSA-N 0 3 436.506 4.542 40 0 IJABHN Cc1ccc(OCC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000028295306 568864457 /nfs/dbraw/zinc/86/44/57/568864457.db2.gz PIKMDPJDGCIQNC-MHZLTWQESA-N 0 3 444.619 4.840 40 0 IJABHN CCOc1ccc(CN2CCC[C@](Cc3cc(-c4ccccc4)no3)(C(=O)N(C)C)C2)cc1 ZINC000057775183 568909211 /nfs/dbraw/zinc/90/92/11/568909211.db2.gz QJSXPVFTHKDHME-HHHXNRCGSA-N 0 3 447.579 4.653 40 0 IJABHN CSc1ccc([C@@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCC(C)CC2)cc1 ZINC000016993794 569169752 /nfs/dbraw/zinc/16/97/52/569169752.db2.gz NLDNRVNLXRHVIU-VWLOTQADSA-N 0 3 449.620 4.849 40 0 IJABHN O=C(NCCc1ccccc1)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010369212 569224072 /nfs/dbraw/zinc/22/40/72/569224072.db2.gz JWKBDHVHFPHYKD-UHFFFAOYSA-N 0 3 441.575 4.897 40 0 IJABHN CC(C)(C)c1n[nH]cc1CN1CCC[C@@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019083495 569226113 /nfs/dbraw/zinc/22/61/13/569226113.db2.gz VYSXRRGDFPSZTF-AUSIDOKSSA-N 0 3 449.574 4.625 40 0 IJABHN Cc1nc([C@@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)ncc1C(=O)N1CCCCC1 ZINC000019763351 569238016 /nfs/dbraw/zinc/23/80/16/569238016.db2.gz ZAGZVZIJUGTULT-OAQYLSRUSA-N 0 3 448.611 4.504 40 0 IJABHN Cc1nc(C2CCN(Cc3cccc4cccnc43)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764177 569238344 /nfs/dbraw/zinc/23/83/44/569238344.db2.gz YSGWZMWKHUEPEN-UHFFFAOYSA-N 0 3 437.547 4.965 40 0 IJABHN Cc1ccccc1CN1CCC(c2ncc(C(=O)NCc3ccc(F)cc3)c(C)n2)CC1 ZINC000019766571 569239480 /nfs/dbraw/zinc/23/94/80/569239480.db2.gz HZVVDPWGAGNGAS-UHFFFAOYSA-N 0 3 432.543 4.542 40 0 IJABHN CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000018177390 569286174 /nfs/dbraw/zinc/28/61/74/569286174.db2.gz JDGAMABBGGXDNF-FKBYEOEOSA-N 0 3 434.492 4.599 40 0 IJABHN COCCN1CC=CC[C@H](C2CCN(Cc3ccc(-c4ccccc4OC)cc3)CC2)C1=O ZINC000019698455 569326910 /nfs/dbraw/zinc/32/69/10/569326910.db2.gz NWQYKQJNVGMKHA-AREMUKBSSA-N 0 3 448.607 4.625 40 0 IJABHN CCOc1c(Cl)cc(Cl)cc1CNCCCSc1nnnn1-c1ccccc1 ZINC000022109116 520599432 /nfs/dbraw/zinc/59/94/32/520599432.db2.gz ZLUQUQFWVMJAOU-UHFFFAOYSA-N 0 3 438.384 4.640 40 0 IJABHN COc1ccc([C@@H](c2c3ccccc3n(O)c2-c2ccccc2)N2CCN(C)CC2)cc1 ZINC000022870940 525211733 /nfs/dbraw/zinc/21/17/33/525211733.db2.gz BBAJRFXAJHAPJE-SANMLTNESA-N 0 3 427.548 4.891 40 0 IJABHN O=C(CC1C(=O)N(CCc2c[nH]c3ccccc23)c2nc3ccccc3n21)Nc1ccccc1 ZINC000021005858 527098764 /nfs/dbraw/zinc/09/87/64/527098764.db2.gz DIECPLUZARGQBD-XMMPIXPASA-N 0 3 449.514 4.677 40 0 IJABHN CCOC(C(=O)N(C)CCN(C)CCc1ccccc1)(c1ccccc1)c1ccccc1 ZINC000001698104 555709908 /nfs/dbraw/zinc/70/99/08/555709908.db2.gz NQIZDFMZAXUZCZ-UHFFFAOYSA-N 0 3 430.592 4.600 40 0 in-man IJABHN O=C(OCCOCCN1CCCCC1)[C@@H]1c2ccccc2Sc2ccc(Cl)cc21 ZINC000002036504 555728228 /nfs/dbraw/zinc/72/82/28/555728228.db2.gz UVAZILGFVKGXCS-JOCHJYFZSA-N 0 3 431.985 4.982 40 0 IJABHN CCOc1ccc([C@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1OCC ZINC000039743922 556438093 /nfs/dbraw/zinc/43/80/93/556438093.db2.gz PUDSKQYRKABDQK-SFHVURJKSA-N 0 3 428.548 4.713 40 0 IJABHN CCOc1ccc([C@@H](C)NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)cc1OCC ZINC000039743920 556438156 /nfs/dbraw/zinc/43/81/56/556438156.db2.gz PUDSKQYRKABDQK-GOSISDBHSA-N 0 3 428.548 4.713 40 0 IJABHN COc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OCc1ccccc1Cl ZINC000016195758 556590089 /nfs/dbraw/zinc/59/00/89/556590089.db2.gz VVJXDHFPJXOTOL-INIZCTEOSA-N 0 3 440.765 4.959 40 0 IJABHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3ccc(C)cc3F)n3c4ccccc4nc32)cc1 ZINC000039964005 556630957 /nfs/dbraw/zinc/63/09/57/556630957.db2.gz FYQGPTBNQZXWDM-QHCPKHFHSA-N 0 3 442.494 4.909 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@@H](Cc2cccc3occc32)C1 ZINC000257343583 556712955 /nfs/dbraw/zinc/71/29/55/556712955.db2.gz ZTOPOWQVQOKFCY-NRFANRHFSA-N 0 3 432.564 4.750 40 0 IJABHN Cc1ccc(NC(=S)N(CCN(C)C)Cc2cc3cc(C)cc(C)c3[nH]c2=O)c(C)c1 ZINC000000885100 556736330 /nfs/dbraw/zinc/73/63/30/556736330.db2.gz CAEVQWPNYBIROX-UHFFFAOYSA-N 0 3 436.625 4.522 40 0 IJABHN O[C@@H](CN1CCC2(CC1)C[C@@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCC2 ZINC000019376347 556752192 /nfs/dbraw/zinc/75/21/92/556752192.db2.gz IXOPVFKDFGNEIV-FTJBHMTQSA-N 0 3 429.560 4.713 40 0 IJABHN C[C@@H](C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000019459246 556766792 /nfs/dbraw/zinc/76/67/92/556766792.db2.gz CZQAOFSERGHJRE-DVECYGJZSA-N 0 3 448.611 4.588 40 0 IJABHN C[C@@H](C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000019459246 556766796 /nfs/dbraw/zinc/76/67/96/556766796.db2.gz CZQAOFSERGHJRE-DVECYGJZSA-N 0 3 448.611 4.588 40 0 IJABHN C[C@@H](C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2)c1ccccc1 ZINC000019459246 556766798 /nfs/dbraw/zinc/76/67/98/556766798.db2.gz CZQAOFSERGHJRE-DVECYGJZSA-N 0 3 448.611 4.588 40 0 IJABHN CCOc1cc(CN2CC[C@H](c3cc4nc(CC)cc(C(F)(F)F)n4n3)C2)ccc1OC ZINC000019522418 556779663 /nfs/dbraw/zinc/77/96/63/556779663.db2.gz QZKBBFPVPLEEMK-INIZCTEOSA-N 0 3 448.489 4.707 40 0 IJABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019568943 556809218 /nfs/dbraw/zinc/80/92/18/556809218.db2.gz XJPMIMWIIYHBCB-NBGIEHNGSA-N 0 3 433.527 4.613 40 0 IJABHN COc1cc(C)c(CN2CCC[C@@H](c3cc(C(F)(F)F)n4nc(C)cc4n3)C2)cc1OC ZINC000072340885 556912937 /nfs/dbraw/zinc/91/29/37/556912937.db2.gz HKJMJZCUUAACDS-MRXNPFEDSA-N 0 3 448.489 4.762 40 0 IJABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=N[C@@H]1c1ccccc1 ZINC000408994388 556913025 /nfs/dbraw/zinc/91/30/25/556913025.db2.gz ZJTCRLOZMMBFAA-HXUWFJFHSA-N 0 3 443.956 4.549 40 0 IJABHN Nc1ncc(-c2ccc(Cl)cc2)c([C@H]2CCCN(Cc3ccc4nccnc4c3)C2)n1 ZINC000072346151 556917541 /nfs/dbraw/zinc/91/75/41/556917541.db2.gz WYGYFVQYZPMYJL-SFHVURJKSA-N 0 3 430.943 4.702 40 0 IJABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cn(C)c3cc(OC)ccc23)C1 ZINC000072352283 556923707 /nfs/dbraw/zinc/92/37/07/556923707.db2.gz DUZRUHRMIIGUGH-INIZCTEOSA-N 0 3 433.577 4.751 40 0 IJABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1cnn2c1nc(C)cc2C ZINC000072370487 556935104 /nfs/dbraw/zinc/93/51/04/556935104.db2.gz RYWDFDXXXCXPTG-LJQANCHMSA-N 0 3 447.608 4.518 40 0 IJABHN CCn1cc(CN2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)c(C)n1 ZINC000072371597 556939712 /nfs/dbraw/zinc/93/97/12/556939712.db2.gz PZTPFGUUIPTLNK-KRWDZBQOSA-N 0 3 447.505 4.564 40 0 IJABHN CCn1cc(CN2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)c(C)n1 ZINC000072371597 556939716 /nfs/dbraw/zinc/93/97/16/556939716.db2.gz PZTPFGUUIPTLNK-KRWDZBQOSA-N 0 3 447.505 4.564 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 ZINC000072372034 556941667 /nfs/dbraw/zinc/94/16/67/556941667.db2.gz BGWWDXRHYWIBED-HHHXNRCGSA-N 0 3 447.623 4.728 40 0 IJABHN O=C(Cc1cc(F)cc(F)c1)N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100411 557034080 /nfs/dbraw/zinc/03/40/80/557034080.db2.gz RGVFQYUHCKFYKK-XMMPIXPASA-N 0 3 434.477 4.833 40 0 IJABHN N=C(Nc1cccc(Cl)c1)Nc1nc(CSc2nc3ccccc3s2)cc(=O)[nH]1 ZINC000020555653 557121881 /nfs/dbraw/zinc/12/18/81/557121881.db2.gz YPWOBYLYPHRCHA-UHFFFAOYSA-N 0 3 442.957 4.784 40 0 IJABHN CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2ccc(OC)cc2)CC1 ZINC000585166182 557128953 /nfs/dbraw/zinc/12/89/53/557128953.db2.gz NFJBYGNZEXEYPV-UHFFFAOYSA-N 0 3 443.591 4.718 40 0 IJABHN CCN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000008831738 557175328 /nfs/dbraw/zinc/17/53/28/557175328.db2.gz PDWVARAKBPQGHP-UHFFFAOYSA-N 0 3 444.604 4.622 40 0 IJABHN CC(C)Oc1ccc(CN[C@@H](c2cc(=O)n3nc(-c4ccccn4)cc3[nH]2)C(C)C)cc1 ZINC000100744464 557275307 /nfs/dbraw/zinc/27/53/07/557275307.db2.gz WFGLONACUPIZEB-RUZDIDTESA-N 0 3 431.540 4.771 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccc(F)c4)[C@@H]3C2=O)cc1 ZINC000101224221 557280461 /nfs/dbraw/zinc/28/04/61/557280461.db2.gz WMNHFELYSHGHNV-HJOGWXRNSA-N 0 3 446.478 4.666 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000101129878 557350597 /nfs/dbraw/zinc/35/05/97/557350597.db2.gz MPNFCRMMSSJXAV-NJYVYQBISA-N 0 3 438.405 4.757 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(C(F)(F)F)cc1 ZINC000101129882 557350648 /nfs/dbraw/zinc/35/06/48/557350648.db2.gz MPNFCRMMSSJXAV-HKBOAZHASA-N 0 3 438.405 4.757 40 0 IJABHN CCNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2cccc(OC)c2)CC1 ZINC000072345014 557376920 /nfs/dbraw/zinc/37/69/20/557376920.db2.gz NMZXUUZXDZETHC-UHFFFAOYSA-N 0 3 443.591 4.718 40 0 IJABHN Cc1cc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C1CCCCC1 ZINC000223264351 557452625 /nfs/dbraw/zinc/45/26/25/557452625.db2.gz KOPDWSQQYCYKRW-GOTSBHOMSA-N 0 3 425.646 4.539 40 0 IJABHN Cc1ccc(Cl)cc1-c1ccc([C@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223287571 557456075 /nfs/dbraw/zinc/45/60/75/557456075.db2.gz NLZCSNGGIMALJO-VXKWHMMOSA-N 0 3 441.000 4.838 40 0 IJABHN Cc1ccc2nc(C)cc(NCCNC(=S)Nc3nccc(-c4cccs4)n3)c2c1 ZINC000225220689 557701791 /nfs/dbraw/zinc/70/17/91/557701791.db2.gz GNFWJDPLCNSBLB-UHFFFAOYSA-N 0 3 434.594 4.769 40 0 IJABHN CC(=O)N[C@@]1(C)C[C@H](c2ccccc2OCCN2CCCCC2)O[C@@H]2C[C@H](C)CC[C@H]21 ZINC000257302393 568712442 /nfs/dbraw/zinc/71/24/42/568712442.db2.gz SCTKRHARVMAYQH-KYTSLKOPSA-N 0 3 428.617 4.712 40 0 IJABHN COc1ccc(CC(=O)N2CC[C@@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)cc1OC ZINC000257323041 568721270 /nfs/dbraw/zinc/72/12/70/568721270.db2.gz WINDNSGFUFZCTA-LJQANCHMSA-N 0 3 449.526 4.849 40 0 IJABHN Cc1nc2c(n1C(C)C)CN(C(=O)c1ccoc1)CC21CCN(Cc2ccccc2)CC1 ZINC000306131487 568766680 /nfs/dbraw/zinc/76/66/80/568766680.db2.gz KGCNZYFLCDQSMN-UHFFFAOYSA-N 0 3 432.568 4.555 40 0 IJABHN CCOc1ccc(-c2cs/c(=N\c3ccccc3)n2N2CC(C)(C)NC(C)(C)C2)cc1 ZINC000016740008 569160774 /nfs/dbraw/zinc/16/07/74/569160774.db2.gz RSUAVJQZVPNGRI-RWEWTDSWSA-N 0 3 436.625 4.946 40 0 IJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2)cc1 ZINC000009063137 569219788 /nfs/dbraw/zinc/21/97/88/569219788.db2.gz YOEKGZJLODELDW-UHFFFAOYSA-N 0 3 433.596 4.908 40 0 IJABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc1 ZINC000019555093 569227062 /nfs/dbraw/zinc/22/70/62/569227062.db2.gz JWGROBAGJQJLRC-SQJMNOBHSA-N 0 3 433.527 4.613 40 0 IJABHN Cc1nc2c(C)cccn2c1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000019713833 569235782 /nfs/dbraw/zinc/23/57/82/569235782.db2.gz RQILGIJBBXJCNB-PKTZIBPZSA-N 0 3 434.559 4.636 40 0 IJABHN COc1cc(C)ccc1CN1CCC(c2ncc(C(=O)Nc3ccc(F)cc3)c(C)n2)CC1 ZINC000019763943 569238206 /nfs/dbraw/zinc/23/82/06/569238206.db2.gz HVOMADBTONFHMK-UHFFFAOYSA-N 0 3 448.542 4.873 40 0 IJABHN CCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2)cc1 ZINC000017778999 569265250 /nfs/dbraw/zinc/26/52/50/569265250.db2.gz YHWRGPPHBFCXQM-VABKMULXSA-N 0 3 448.906 4.790 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000011666631 569302827 /nfs/dbraw/zinc/30/28/27/569302827.db2.gz DGYIORVYEFFGSJ-ACRUOGEOSA-N 0 3 438.405 4.757 40 0 IJABHN COCCCn1c(C)cc(C(=O)CN2C(C)=N[C@@H](Cc3c[nH]c4ccccc34)[C@H]2C)c1C ZINC000070503706 569545063 /nfs/dbraw/zinc/54/50/63/569545063.db2.gz FPJRAOJSVAYQHH-CLOONOSVSA-N 0 3 434.584 4.539 40 0 IJABHN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)CC1C(=O)Nc1cccc2ccccc21 ZINC000020798646 520476357 /nfs/dbraw/zinc/47/63/57/520476357.db2.gz BOMPIGUKFDLGIO-QFIPXVFZSA-N 0 3 442.515 4.977 40 0 IJABHN C[C@H](Oc1ccc(Br)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000010281067 556329533 /nfs/dbraw/zinc/32/95/33/556329533.db2.gz BAXAJWJORXJVJP-KRWDZBQOSA-N 0 3 431.374 4.519 40 0 IJABHN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038854943 556625376 /nfs/dbraw/zinc/62/53/76/556625376.db2.gz CGNQGFRXTBVDBZ-JOCHJYFZSA-N 0 3 445.538 4.606 40 0 IJABHN CC(C)CNC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038855055 556625657 /nfs/dbraw/zinc/62/56/57/556625657.db2.gz COLQUEFURQWWHC-IBGZPJMESA-N 0 3 427.976 4.577 40 0 IJABHN CC(C)CNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038855052 556625677 /nfs/dbraw/zinc/62/56/77/556625677.db2.gz COLQUEFURQWWHC-LJQANCHMSA-N 0 3 427.976 4.577 40 0 IJABHN Cc1ccc(NC(=O)CC2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c(C)c1 ZINC000039964038 556631068 /nfs/dbraw/zinc/63/10/68/556631068.db2.gz HMTHBFWVYBFNPY-XMMPIXPASA-N 0 3 438.531 4.812 40 0 IJABHN Cc1ccc(NC(=O)CC2C(=O)N(Cc3cccnc3)c3nc4ccccc4n32)c(Cl)c1 ZINC000039964167 556631263 /nfs/dbraw/zinc/63/12/63/556631263.db2.gz CLIFWFCUIUSCPX-NRFANRHFSA-N 0 3 445.910 4.510 40 0 IJABHN CCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101176623 556640053 /nfs/dbraw/zinc/64/00/53/556640053.db2.gz GIVHQZBGYVLNFQ-VABKMULXSA-N 0 3 448.906 4.790 40 0 IJABHN COc1ccc(-c2cccc(CN3CCC([C@H](NC(C)=O)c4ccccn4)CC3)c2)cc1 ZINC000019020573 556693564 /nfs/dbraw/zinc/69/35/64/556693564.db2.gz OGTBHVGRZZFYOF-MHZLTWQESA-N 0 3 429.564 4.847 40 0 IJABHN COc1ccc2nc(CN3CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2c1 ZINC000019081891 556696703 /nfs/dbraw/zinc/69/67/03/556696703.db2.gz GJFHNYWRROEXLQ-CJFMBICVSA-N 0 3 446.595 4.754 40 0 IJABHN OCCOc1cccc(CN2CCC3(CC2)Oc2ccc(Cl)cc2[C@H]2OCCC[C@@H]23)c1 ZINC000257209371 556702326 /nfs/dbraw/zinc/70/23/26/556702326.db2.gz BQCUKISRWYDIJB-LADGPHEKSA-N 0 3 443.971 4.606 40 0 IJABHN c1cnc(Oc2cccc(CN3CCOC[C@@H](Cc4ccc5ccncc5c4)C3)c2)nc1 ZINC000257225971 556708545 /nfs/dbraw/zinc/70/85/45/556708545.db2.gz FIQBKIVNGBQBPO-QFIPXVFZSA-N 0 3 426.520 4.508 40 0 IJABHN Cc1[nH]c2cc(C)ccc2c1[C@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2 ZINC000019219612 556713998 /nfs/dbraw/zinc/71/39/98/556713998.db2.gz YJFWRHJPFLVMIQ-FCHUYYIVSA-N 0 3 440.971 4.822 40 0 IJABHN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccc3C)c3ccccn3)C2)c1 ZINC000019236829 556721500 /nfs/dbraw/zinc/72/15/00/556721500.db2.gz FMJMGKYZQJTKMJ-BKMJKUGQSA-N 0 3 429.564 4.782 40 0 IJABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000019374119 556750670 /nfs/dbraw/zinc/75/06/70/556750670.db2.gz IBBIIRIHQGVBQY-LOSJGSFVSA-N 0 3 433.523 4.877 40 0 IJABHN C[C@H](C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000019459248 556766888 /nfs/dbraw/zinc/76/68/88/556766888.db2.gz CZQAOFSERGHJRE-CYFREDJKSA-N 0 3 448.611 4.588 40 0 IJABHN C[C@H](C(=O)N1CCC[C@H]1c1nc2c(c(=O)[n-]1)CC[N@@H+](CC1CCCCC1)C2)c1ccccc1 ZINC000019459248 556766891 /nfs/dbraw/zinc/76/68/91/556766891.db2.gz CZQAOFSERGHJRE-CYFREDJKSA-N 0 3 448.611 4.588 40 0 IJABHN C[C@H](C(=O)N1CCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(CC1CCCCC1)C2)c1ccccc1 ZINC000019459248 556766894 /nfs/dbraw/zinc/76/68/94/556766894.db2.gz CZQAOFSERGHJRE-CYFREDJKSA-N 0 3 448.611 4.588 40 0 IJABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019562208 556803633 /nfs/dbraw/zinc/80/36/33/556803633.db2.gz ODLRKUYNODALKM-UIOOFZCWSA-N 0 3 445.559 4.746 40 0 IJABHN CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN3Cc3cn(C)c4ccccc34)c2)cn1 ZINC000019690924 556846952 /nfs/dbraw/zinc/84/69/52/556846952.db2.gz LUJRBXYPZNCZAE-SANMLTNESA-N 0 3 439.563 4.640 40 0 IJABHN COc1ccc2c(c1)N[C@]1(COC3(C1)CCN(Cc1ccc(C)s1)CC3)c1cccn1-2 ZINC000072327212 556903601 /nfs/dbraw/zinc/90/36/01/556903601.db2.gz AFLMLYHICJSJNX-RUZDIDTESA-N 0 3 435.593 4.932 40 0 IJABHN COc1cc(CN2CCC(Cc3ccccc3-c3ccccc3)(C(N)=O)CC2)cc(OC)c1 ZINC000072345108 556916571 /nfs/dbraw/zinc/91/65/71/556916571.db2.gz GMVZKZNYOQFTFO-UHFFFAOYSA-N 0 3 444.575 4.681 40 0 IJABHN Cc1ccc2n[nH]c(C(=O)N3CCC[C@H]3c3cc(Nc4ncccc4C)cc(C)n3)c2c1 ZINC000072372751 556944037 /nfs/dbraw/zinc/94/40/37/556944037.db2.gz HVXIASUTUZCEGB-QFIPXVFZSA-N 0 3 426.524 4.999 40 0 IJABHN CCOc1ccc(CN2CCC[C@@H](c3cccc(Nc4cccc(C)n4)n3)C2)cc1CO ZINC000072376106 556953871 /nfs/dbraw/zinc/95/38/71/556953871.db2.gz HZVABLYHAAVFTC-OAQYLSRUSA-N 0 3 432.568 4.799 40 0 IJABHN C/C(=C\c1ccccc1)CN1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000072398654 556970408 /nfs/dbraw/zinc/97/04/08/556970408.db2.gz RVMWWVHTKRNJOS-HFSBSBEISA-N 0 3 426.564 4.763 40 0 IJABHN CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102758645 557132097 /nfs/dbraw/zinc/13/20/97/557132097.db2.gz GIVHQZBGYVLNFQ-XPWALMASSA-N 0 3 448.906 4.790 40 0 IJABHN CCOc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000102739544 557132147 /nfs/dbraw/zinc/13/21/47/557132147.db2.gz BVWGGNMNALAHCY-RJGXRXQPSA-N 0 3 448.906 4.790 40 0 IJABHN CN(C)[C@@H]1CCN(C(=O)c2cnc(-c3noc4cc(-c5ccc(F)cc5)ccc43)s2)C1 ZINC000096154670 557178760 /nfs/dbraw/zinc/17/87/60/557178760.db2.gz HCMUDZJCTCKVET-QGZVFWFLSA-N 0 3 436.512 4.534 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(Br)cc3)[C@@H]2C(=O)N1c1ccccc1 ZINC000170621091 557217563 /nfs/dbraw/zinc/21/75/63/557217563.db2.gz AYRFJQUKJWQLHI-ACRUOGEOSA-N 0 3 449.304 4.500 40 0 IJABHN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H](C)N3CCCC3)CC2)n1 ZINC000100739097 557273680 /nfs/dbraw/zinc/27/36/80/557273680.db2.gz MNLIKWHFIYKJCQ-SJBKTWHCSA-N 0 3 435.616 4.536 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000101099252 557282987 /nfs/dbraw/zinc/28/29/87/557282987.db2.gz SMQPALBQOAGWGP-SMIHKQSGSA-N 0 3 428.488 4.527 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@@H]3C2=O)cc1 ZINC000101099250 557283020 /nfs/dbraw/zinc/28/30/20/557283020.db2.gz SMQPALBQOAGWGP-HJOGWXRNSA-N 0 3 428.488 4.527 40 0 IJABHN CC(C)C(=O)N1CCCC[C@@H]1c1nnc(C2CCN(Cc3ccnc4ccccc34)CC2)o1 ZINC000257309257 568715069 /nfs/dbraw/zinc/71/50/69/568715069.db2.gz UAGFTJPFIXCVTQ-HSZRJFAPSA-N 0 3 447.583 4.707 40 0 IJABHN CC(C)(C)NC(=O)[C@@H]1C[C@H](c2ccn(C(C)(C)C)n2)[C@H](c2cccc(C(F)(F)F)c2)N1 ZINC000257323248 568721411 /nfs/dbraw/zinc/72/14/11/568721411.db2.gz WJIMZEJGXXIKMX-NEWSRXKRSA-N 0 3 436.522 4.758 40 0 IJABHN CCOc1ccc(CN2CCC[C@@H](c3cc(Nc4nccs4)cc(C)n3)C2)cc1CO ZINC000257323330 568721532 /nfs/dbraw/zinc/72/15/32/568721532.db2.gz WJSFLGLHUGIOFO-LJQANCHMSA-N 0 3 438.597 4.861 40 0 IJABHN O=C(c1cnc2cc(Cl)ccc2c1[O-])N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198792 568921728 /nfs/dbraw/zinc/92/17/28/568921728.db2.gz IKNIRVYOYACPMV-MBKAAHDRSA-N 0 3 437.971 4.629 40 0 IJABHN O=C(c1cnc2cc(Cl)ccc2c1[O-])N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@H]34)[C@@H]21 ZINC000257198792 568921729 /nfs/dbraw/zinc/92/17/29/568921729.db2.gz IKNIRVYOYACPMV-MBKAAHDRSA-N 0 3 437.971 4.629 40 0 IJABHN Cc1cccc(CN2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)c1 ZINC000009063045 569219808 /nfs/dbraw/zinc/21/98/08/569219808.db2.gz PFMSSMUGKRBHIM-UHFFFAOYSA-N 0 3 426.004 4.518 40 0 IJABHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@]32C)cc1 ZINC000009272583 569294946 /nfs/dbraw/zinc/29/49/46/569294946.db2.gz FGXUFWKNTABFFK-RQTOMXEWSA-N 0 3 448.906 4.790 40 0 IJABHN CNc1nc([C@@H]2CCCCN2Cc2ccccc2-c2ccccc2OC)nc2c1CNCC2 ZINC000019710339 569327514 /nfs/dbraw/zinc/32/75/14/569327514.db2.gz QWVMQBYLMQHOKN-DEOSSOPVSA-N 0 3 443.595 4.567 40 0 IJABHN COc1cc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)ccc1OC(C)C ZINC000044905245 522429032 /nfs/dbraw/zinc/42/90/32/522429032.db2.gz VTRGDGUXXMKEME-FQEVSTJZSA-N 0 3 430.976 4.664 40 0 IJABHN COc1ccc(CN(C)C(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC ZINC000020488458 523999758 /nfs/dbraw/zinc/99/97/58/523999758.db2.gz OYAVNIYTVIPMLA-UHFFFAOYSA-N 0 3 430.548 4.534 40 0 IJABHN COc1ccc([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1OC ZINC000020451317 525143631 /nfs/dbraw/zinc/14/36/31/525143631.db2.gz SOUYFXSWSGYPRW-LJQANCHMSA-N 0 3 430.548 4.753 40 0 IJABHN Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000012640236 527119027 /nfs/dbraw/zinc/11/90/27/527119027.db2.gz JWPPTNGTWUKSGL-HZPDHXFCSA-N 0 3 436.522 4.790 40 0 IJABHN COc1ccccc1NC(=O)CC1C(=O)N([C@@H]2CCC[C@H](C)[C@H]2C)c2nc3ccccc3n21 ZINC000039964077 556445498 /nfs/dbraw/zinc/44/54/98/556445498.db2.gz AWIKYMLKYWIXID-VTAPXXACSA-N 0 3 446.551 4.786 40 0 IJABHN O=C(Nc1ccccc1C(=O)N1CCCCC1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030941522 556516286 /nfs/dbraw/zinc/51/62/86/556516286.db2.gz AKUQGGYHKCKNHJ-HXUWFJFHSA-N 0 3 439.987 4.817 40 0 IJABHN CCOc1cc(CN[C@H](CC)CO)cc(Br)c1OCc1ccccc1Cl ZINC000016611379 556618213 /nfs/dbraw/zinc/61/82/13/556618213.db2.gz OARNUIAHYZHDAT-MRXNPFEDSA-N 0 3 442.781 4.941 40 0 IJABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000018006676 556681201 /nfs/dbraw/zinc/68/12/01/556681201.db2.gz ZTJMXKJXJKCFMB-VJBWXMMDSA-N 0 3 448.906 4.708 40 0 IJABHN Cc1cc(C(=O)N(C)C)nc(C2(C)CCN(Cc3ccccc3Oc3ccccc3)CC2)n1 ZINC000257200461 556700990 /nfs/dbraw/zinc/70/09/90/556700990.db2.gz ADLMROJDEASFDV-UHFFFAOYSA-N 0 3 444.579 4.833 40 0 IJABHN Cc1cc2c(cc1CN1CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC1)OCO2 ZINC000019125541 556703180 /nfs/dbraw/zinc/70/31/80/556703180.db2.gz BGPGOBRUGUYROL-UHFFFAOYSA-N 0 3 445.567 4.776 40 0 IJABHN C[C@@H]1CCCCN1CCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257268014 556713340 /nfs/dbraw/zinc/71/33/40/556713340.db2.gz MJWLFYSGJZXMTB-OAQYLSRUSA-N 0 3 438.587 4.823 40 0 IJABHN COc1c(C)cccc1CN1CCC([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000019235933 556720488 /nfs/dbraw/zinc/72/04/88/556720488.db2.gz BITJWJQKBCWMBB-VWLOTQADSA-N 0 3 447.554 4.921 40 0 IJABHN COc1cccc(CN2CCC([C@@H](NC(=O)c3ccccc3C)c3ccccn3)CC2)c1 ZINC000019236868 556721857 /nfs/dbraw/zinc/72/18/57/556721857.db2.gz RCIXGRGKVQUBTD-AREMUKBSSA-N 0 3 429.564 4.782 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000013770398 556730062 /nfs/dbraw/zinc/73/00/62/556730062.db2.gz GXKIREHZUOTFOE-SGNDLWITSA-N 0 3 446.478 4.666 40 0 IJABHN OC1(c2cccnc2)[C@@H]2CCC[C@H]1CN(Cc1cccc(OCc3ccc(F)cc3)c1)C2 ZINC000019330983 556736963 /nfs/dbraw/zinc/73/69/63/556736963.db2.gz GKKLVCFSCMQNMX-VKSRLUHHSA-N 0 3 432.539 4.919 40 0 IJABHN O=C(Nc1ccc([C@@H](O)CN2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)cc1)C1CC1 ZINC000019332357 556737511 /nfs/dbraw/zinc/73/75/11/556737511.db2.gz APNRJAPGLKQJLU-QFIPXVFZSA-N 0 3 438.955 4.662 40 0 IJABHN O=C(c1ccsc1)N1CCC2(CC1)CN(Cc1ccccc1)C[C@H](c1ccccc1)O2 ZINC000019371698 556748404 /nfs/dbraw/zinc/74/84/04/556748404.db2.gz SLCXXECNNROSOS-XMMPIXPASA-N 0 3 432.589 4.997 40 0 IJABHN CC(C)c1ncc(CN2CC[C@](Cc3cccc(-c4cccs4)c3)(C(=O)N(C)C)C2)cn1 ZINC000019453980 556764207 /nfs/dbraw/zinc/76/42/07/556764207.db2.gz SVXCMNFFERKRAD-AREMUKBSSA-N 0 3 448.636 4.852 40 0 IJABHN CCN1CCC[C@H]1CN(Cc1cc2c(C)cc(C)cc2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000001371362 556784212 /nfs/dbraw/zinc/78/42/12/556784212.db2.gz IWBIXQCAOYHKNO-QFIPXVFZSA-N 0 3 432.568 4.663 40 0 IJABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019562202 556803576 /nfs/dbraw/zinc/80/35/76/556803576.db2.gz ODLRKUYNODALKM-FTJBHMTQSA-N 0 3 445.559 4.746 40 0 IJABHN COc1cccc(CN2CCC([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)CC2)c1 ZINC000019564859 556805884 /nfs/dbraw/zinc/80/58/84/556805884.db2.gz WIIBSUYCQLPQBZ-VWLOTQADSA-N 0 3 433.527 4.613 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC[C@@H]2c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)cc1 ZINC000019703646 556862122 /nfs/dbraw/zinc/86/21/22/556862122.db2.gz BQAKQUBXLPJSAC-XMMPIXPASA-N 0 3 440.494 4.605 40 0 IJABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cn(C)c3cc(OC)ccc23)C1 ZINC000072352282 556923691 /nfs/dbraw/zinc/92/36/91/556923691.db2.gz DUZRUHRMIIGUGH-MRXNPFEDSA-N 0 3 433.577 4.751 40 0 IJABHN CCn1cc(CN2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)c(C)n1 ZINC000072371600 556939731 /nfs/dbraw/zinc/93/97/31/556939731.db2.gz STIDTHZDJSFBBP-QGZVFWFLSA-N 0 3 447.505 4.564 40 0 IJABHN CCn1cc(CN2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)c(C)n1 ZINC000072371600 556939735 /nfs/dbraw/zinc/93/97/35/556939735.db2.gz STIDTHZDJSFBBP-QGZVFWFLSA-N 0 3 447.505 4.564 40 0 IJABHN CCOc1ccc(CN2CCC[C@@H](c3cccc(Nc4ncccc4C)n3)C2)cc1CO ZINC000072376108 556954320 /nfs/dbraw/zinc/95/43/20/556954320.db2.gz XJWYLJJQOIVJBW-OAQYLSRUSA-N 0 3 432.568 4.799 40 0 IJABHN COc1ccc(C2(O)C[C@H]3CC[C@@H](C2)N3Cc2c3cccnc3[nH]c2C(F)(F)F)cc1 ZINC000072393366 556964429 /nfs/dbraw/zinc/96/44/29/556964429.db2.gz USFXCQGKFCHWTM-XVQYUUQNSA-N 0 3 431.458 4.605 40 0 IJABHN CN(C)CCNCc1cc(Br)ccc1OCc1ccc(Cl)cc1Cl ZINC000022942444 557053810 /nfs/dbraw/zinc/05/38/10/557053810.db2.gz UWKPDQILSSFARJ-UHFFFAOYSA-N 0 3 432.189 4.986 40 0 IJABHN COc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NCC2CC2)c2ccccc2O3)cc1 ZINC000096053101 557166440 /nfs/dbraw/zinc/16/64/40/557166440.db2.gz QLTJJKWNKDLORF-QFIPXVFZSA-N 0 3 434.580 4.512 40 0 IJABHN COCCN(C)c1nc(C2CCN(Cc3ccc(C)s3)CC2)cc2c1ncn2C(C)C ZINC000096100029 557169339 /nfs/dbraw/zinc/16/93/39/557169339.db2.gz NCXVJFZSPLGLPJ-UHFFFAOYSA-N 0 3 441.645 4.844 40 0 IJABHN CCOc1ccc(CN2CCC[C@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)cc1OC ZINC000057774056 557263726 /nfs/dbraw/zinc/26/37/26/557263726.db2.gz LXHUPULAFYZTFM-LVXARBLLSA-N 0 3 439.600 4.605 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@H](c3cccc(C(F)(F)F)c3)[C@H]2C(=O)N1c1ccccc1 ZINC000102766447 557307828 /nfs/dbraw/zinc/30/78/28/557307828.db2.gz XQPYJQKPUOHFLY-NJYVYQBISA-N 0 3 438.405 4.757 40 0 IJABHN C[C@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)OCCO2 ZINC000222656494 557369354 /nfs/dbraw/zinc/36/93/54/557369354.db2.gz JAKGMNLQPZPHFG-IBGZPJMESA-N 0 3 428.532 4.507 40 0 IJABHN Cc1ccc(-c2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1Cl ZINC000223287903 557456306 /nfs/dbraw/zinc/45/63/06/557456306.db2.gz CVNGFBDETFPBRX-FGZHOGPDSA-N 0 3 441.000 4.838 40 0 IJABHN CC(C)n1c(=O)sc2cc(NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)ccc21 ZINC000225174897 557696357 /nfs/dbraw/zinc/69/63/57/557696357.db2.gz PDFIOHBMUFMTLK-QGZVFWFLSA-N 0 3 427.545 4.634 40 0 IJABHN CCOC(=O)C1(c2ccc(NC(=O)[C@@H]3CCCN(Cc4ccc(Cl)cc4)C3)cc2)CC1 ZINC000225904653 557789903 /nfs/dbraw/zinc/78/99/03/557789903.db2.gz XNTSWQYGCFPWML-LJQANCHMSA-N 0 3 440.971 4.785 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC[C@](O)(COc3ccc(Cl)c(Cl)c3)CC2)cc1 ZINC000585270071 568616886 /nfs/dbraw/zinc/61/68/86/568616886.db2.gz DKISCDAKSDPUPM-JOCHJYFZSA-N 0 3 437.367 4.748 40 0 IJABHN CCN1CCN(Cc2c[nH]c3ccccc23)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257275713 568700397 /nfs/dbraw/zinc/70/03/97/568700397.db2.gz NQPBQOQYZHDJOF-QHCPKHFHSA-N 0 3 438.575 4.753 40 0 IJABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4ccc5c(c4)OCCO5)C3)c2)c1 ZINC000257278892 568701716 /nfs/dbraw/zinc/70/17/16/568701716.db2.gz OECHXNNWAOEFJS-IBGZPJMESA-N 0 3 445.519 4.543 40 0 IJABHN Cc1nc2cc([C@@H]3CCCN3CC3CCCCC3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257281615 568702677 /nfs/dbraw/zinc/70/26/77/568702677.db2.gz OQDCCLDXGAWFJK-QHCPKHFHSA-N 0 3 425.621 4.521 40 0 IJABHN Cc1nc2cc([C@@H]3CCCN3C3CCCCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257295477 568709360 /nfs/dbraw/zinc/70/93/60/568709360.db2.gz QYLIBFGTVIXMPO-DEOSSOPVSA-N 0 3 437.632 4.807 40 0 IJABHN Cc1cnc2c(C(=O)N3CCC[C@@H](c4cc(Nc5ccc(F)cc5)cc(C)n4)C3)cnn2c1 ZINC000257299027 568710847 /nfs/dbraw/zinc/71/08/47/568710847.db2.gz ROKCELDLOZYWEO-GOSISDBHSA-N 0 3 444.514 4.644 40 0 IJABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cnn5cc(C)cnc45)C3)c2)cc1 ZINC000257310646 568715714 /nfs/dbraw/zinc/71/57/14/568715714.db2.gz UFYMONPBXJRUEH-FQEVSTJZSA-N 0 3 440.551 4.813 40 0 IJABHN Cc1cnc2c(C(=O)N3CCC[C@@H](c4cc(Nc5cccc(F)c5)cc(C)n4)C3)cnn2c1 ZINC000257315296 568717619 /nfs/dbraw/zinc/71/76/19/568717619.db2.gz VASDDGAICLJENS-GOSISDBHSA-N 0 3 444.514 4.644 40 0 IJABHN Cn1ccnc1-c1nc(NC2CCN(Cc3ccccc3)CC2)ncc1-c1ccccc1F ZINC000057775422 568909392 /nfs/dbraw/zinc/90/93/92/568909392.db2.gz DVVSXDOUZSIRCJ-UHFFFAOYSA-N 0 3 442.542 4.760 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019235952 569226057 /nfs/dbraw/zinc/22/60/57/569226057.db2.gz DEWBTMKTRLMKPD-PXDATVDWSA-N 0 3 447.554 4.921 40 0 IJABHN Cc1cc(CN2CCC[C@H]([C@@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc(C)c1O ZINC000019569986 569226964 /nfs/dbraw/zinc/22/69/64/569226964.db2.gz ANWDYKFITUTCDM-WIOPSUGQSA-N 0 3 447.554 4.926 40 0 IJABHN COCc1ccc(OC)c(CN2CC[C@H](c3cc(COc4cccc(Cl)c4)[nH]n3)C2)c1 ZINC000019704374 569233354 /nfs/dbraw/zinc/23/33/54/569233354.db2.gz PMQLKCSBIXSVRG-SFHVURJKSA-N 0 3 441.959 4.787 40 0 IJABHN Cc1nc([C@@H]2CCN(Cc3ccc(OC(C)C)cc3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019758024 569237381 /nfs/dbraw/zinc/23/73/81/569237381.db2.gz DHLNOWXSJPQSLI-HXUWFJFHSA-N 0 3 448.542 4.953 40 0 IJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4C)[C@H]3C2=O)cc1 ZINC000009344700 569295727 /nfs/dbraw/zinc/29/57/27/569295727.db2.gz ILHSREBFKREXTF-SDHSZQHLSA-N 0 3 442.515 4.753 40 0 IJABHN COc1cccc(OC)c1-c1cnc(N(C)C)nc1C1CCN(Cc2ccccc2)CC1 ZINC000019694111 569326614 /nfs/dbraw/zinc/32/66/14/569326614.db2.gz HJVIIJHTJQHDFJ-UHFFFAOYSA-N 0 3 432.568 4.606 40 0 IJABHN COCCCn1c(C)cc(C(=O)CN2C(C)=N[C@H](Cc3c[nH]c4ccccc34)[C@H]2C)c1C ZINC000070503708 569545111 /nfs/dbraw/zinc/54/51/11/569545111.db2.gz FPJRAOJSVAYQHH-KBMIEXCESA-N 0 3 434.584 4.539 40 0 IJABHN OC1(c2csc(CN3CCc4ccccc4C3)n2)CCN(CC2CCCCC2)CC1 ZINC000225473499 291393785 /nfs/dbraw/zinc/39/37/85/291393785.db2.gz STPVYJRQAWMKIW-UHFFFAOYSA-N 0 3 425.642 4.565 40 0 biogenic,in-vitro IJABHN CC[C@@H](CO)NCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000016611374 522572078 /nfs/dbraw/zinc/57/20/78/522572078.db2.gz MMWCBORRRGIDDD-HNNXBMFYSA-N 0 3 428.754 4.551 40 0 IJABHN Cc1occc1-c1nc(NC2CCN(Cc3ccccc3)CC2)ncc1-c1cnccn1 ZINC000012252499 526796991 /nfs/dbraw/zinc/79/69/91/526796991.db2.gz GQLCDTMVOAQXGP-UHFFFAOYSA-N 0 3 426.524 4.579 40 0 IJABHN O=C(OCCOCCN1CCCCC1)[C@H]1c2ccccc2Sc2ccc(Cl)cc21 ZINC000001718761 555710942 /nfs/dbraw/zinc/71/09/42/555710942.db2.gz UVAZILGFVKGXCS-QFIPXVFZSA-N 0 3 431.985 4.982 40 0 IJABHN CCOc1cc(CN[C@H](CC)CO)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016611362 556618075 /nfs/dbraw/zinc/61/80/75/556618075.db2.gz BXZDUXVDGNVQCI-QGZVFWFLSA-N 0 3 442.781 4.941 40 0 IJABHN CCOc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688486 556626278 /nfs/dbraw/zinc/62/62/78/556626278.db2.gz PCBKMBMVSAPPBH-SFHVURJKSA-N 0 3 438.337 4.835 40 0 IJABHN O=C(NCc1ccc2c(c1)OCO2)c1ccc(CN2CCC(Cc3ccccc3)CC2)cc1 ZINC000040413639 556643634 /nfs/dbraw/zinc/64/36/34/556643634.db2.gz NACJABYSJZBOCT-UHFFFAOYSA-N 0 3 442.559 4.800 40 0 IJABHN Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000019125675 556703258 /nfs/dbraw/zinc/70/32/58/556703258.db2.gz ZOZYMKYMRJACCR-PKTZIBPZSA-N 0 3 427.972 4.521 40 0 IJABHN c1ccc(COc2ccccc2CN2CCOC[C@H](Cc3ccc4ncccc4c3)C2)nc1 ZINC000257222347 556707810 /nfs/dbraw/zinc/70/78/10/556707810.db2.gz DSXYWFBYFQCRCP-HSZRJFAPSA-N 0 3 439.559 4.900 40 0 IJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000013758590 556727951 /nfs/dbraw/zinc/72/79/51/556727951.db2.gz VVVMRLYSMZETSR-VJBWXMMDSA-N 0 3 448.906 4.790 40 0 IJABHN Cc1ccc(NC(=S)N(CCN(C)C)Cc2cc3c(C)cc(C)cc3[nH]c2=O)c(C)c1 ZINC000000885101 556736282 /nfs/dbraw/zinc/73/62/82/556736282.db2.gz UOFVNGSAQILSMX-UHFFFAOYSA-N 0 3 436.625 4.522 40 0 IJABHN COc1ccc(CN2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)cc1OC ZINC000019450324 556761344 /nfs/dbraw/zinc/76/13/44/556761344.db2.gz QIFCIERIWVPEMN-UHFFFAOYSA-N 0 3 447.583 4.756 40 0 IJABHN COc1ccc2c(c1)c(CN1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)cn2C(C)C ZINC000019454786 556764991 /nfs/dbraw/zinc/76/49/91/556764991.db2.gz DGRIOZXQIUTKPV-UHFFFAOYSA-N 0 3 437.559 4.997 40 0 IJABHN CCn1cc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019524762 556782163 /nfs/dbraw/zinc/78/21/63/556782163.db2.gz UCMXEHYGSBTWKO-DHIUTWEWSA-N 0 3 440.971 4.699 40 0 IJABHN CCn1cc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(C)c(C)cc2O3)c2ccccc21 ZINC000019524757 556782175 /nfs/dbraw/zinc/78/21/75/556782175.db2.gz KEPPBOCTQJOAGO-RPBOFIJWSA-N 0 3 434.580 4.662 40 0 IJABHN CCNC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCN(Cc2cnc(C(C)C)nc2)C1 ZINC000019529190 556790502 /nfs/dbraw/zinc/79/05/02/556790502.db2.gz NBKJAODBAGNJKE-AREMUKBSSA-N 0 3 448.636 4.899 40 0 IJABHN COCCOc1ccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1 ZINC000019568889 556809007 /nfs/dbraw/zinc/80/90/07/556809007.db2.gz NOTASRAMIWZEQD-QGZVFWFLSA-N 0 3 449.473 4.955 40 0 IJABHN COc1ccc(CN2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)CC2)cc1OC ZINC000019575008 556814733 /nfs/dbraw/zinc/81/47/33/556814733.db2.gz SCPMCIFQLJNGKR-JLTOFOAXSA-N 0 3 438.494 4.587 40 0 IJABHN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)c1 ZINC000072330505 556906275 /nfs/dbraw/zinc/90/62/75/556906275.db2.gz BVIJHVMBGZKGKJ-BWKNWUBXSA-N 0 3 433.527 4.613 40 0 IJABHN COCc1cc(CN2CCC[C@H](c3ccc(Nc4cnccn4)cn3)C2)ccc1OC(C)C ZINC000072353474 556926942 /nfs/dbraw/zinc/92/69/42/556926942.db2.gz ZFUXQASAYAWBLN-NRFANRHFSA-N 0 3 447.583 4.928 40 0 IJABHN Cc1cc(C)n2ncc(CN3CCCCC[C@@H]3Cc3c4ccccc4sc3C(N)=O)c2n1 ZINC000072370689 556935897 /nfs/dbraw/zinc/93/58/97/556935897.db2.gz QGCKXTWQBUKZIF-LJQANCHMSA-N 0 3 447.608 4.647 40 0 IJABHN CCOc1ccc(CN2CCC(c3ccc(Nc4cccc(C)n4)cn3)CC2)cc1CO ZINC000072374331 556947653 /nfs/dbraw/zinc/94/76/53/556947653.db2.gz MADSMBDCJVSGNK-UHFFFAOYSA-N 0 3 432.568 4.799 40 0 IJABHN COc1cc(CN2C[C@@H](c3ccc(F)cc3)[C@H](c3cc(C(F)F)n[nH]3)C2)cc(OC)c1 ZINC000072395159 556966445 /nfs/dbraw/zinc/96/64/45/556966445.db2.gz RFEKHRCPVBDXJO-VQTJNVASSA-N 0 3 431.458 4.887 40 0 IJABHN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@@H](C)N3CCCC3)CC2)n1 ZINC000257268841 556990617 /nfs/dbraw/zinc/99/06/17/556990617.db2.gz MNLIKWHFIYKJCQ-KCZVDYSFSA-N 0 3 435.616 4.536 40 0 IJABHN CCOc1cc(CNCCN(C)C)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000023471889 557093536 /nfs/dbraw/zinc/09/35/36/557093536.db2.gz XSLPWHMLXGRPTE-UHFFFAOYSA-N 0 3 441.797 4.731 40 0 IJABHN CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2ccccc2Cl)CC1 ZINC000585166496 557128390 /nfs/dbraw/zinc/12/83/90/557128390.db2.gz PBGUHGPQLAAVEZ-UHFFFAOYSA-N 0 3 433.983 4.973 40 0 IJABHN S=C(Nc1ccccc1)N(C[C@H]1NCCc2ccccc21)C(=S)Nc1ccccc1 ZINC000024717079 557160645 /nfs/dbraw/zinc/16/06/45/557160645.db2.gz LUIPAYGZPOPPIA-JOCHJYFZSA-N 0 3 432.618 4.969 40 0 IJABHN COc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)N2CCCC2)c2ccccc2O3)cc1 ZINC000096053221 557166918 /nfs/dbraw/zinc/16/69/18/557166918.db2.gz LIMRHUFWHFKOQU-QFIPXVFZSA-N 0 3 434.580 4.609 40 0 IJABHN COCCN(C)c1nc(C2CCN(Cc3cccs3)CC2)cc2c1ncn2C(C)C ZINC000096100024 557169348 /nfs/dbraw/zinc/16/93/48/557169348.db2.gz QJCHPSXZGNEYDP-UHFFFAOYSA-N 0 3 427.618 4.536 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)cc1 ZINC000097954474 557178142 /nfs/dbraw/zinc/17/81/42/557178142.db2.gz GXKIREHZUOTFOE-HJOGWXRNSA-N 0 3 446.478 4.666 40 0 IJABHN CN(C)[C@H]1CCN(C(=O)c2cnc(-c3noc4cc(-c5ccc(F)cc5)ccc43)s2)C1 ZINC000096154671 557178721 /nfs/dbraw/zinc/17/87/21/557178721.db2.gz HCMUDZJCTCKVET-KRWDZBQOSA-N 0 3 436.512 4.534 40 0 IJABHN O=C1CCCC[C@]2(CN(Cc3ccccc3OCc3ccccn3)C[C@H]2c2ccccc2)N1 ZINC000585261697 557195816 /nfs/dbraw/zinc/19/58/16/557195816.db2.gz PFCMIPVUIUHRLD-LBNVMWSVSA-N 0 3 441.575 4.689 40 0 IJABHN COC1CCC(Cc2cccc(-c3ccccc3C)c2)(C(=O)NC2CCN(C)CC2)CC1 ZINC000585263125 557203715 /nfs/dbraw/zinc/20/37/15/557203715.db2.gz MXEOFCLAFCGYOD-UHFFFAOYSA-N 0 3 434.624 4.990 40 0 IJABHN COC1(COc2ccc(C)cc2C)CCN(Cc2cccc(OCCn3cccn3)c2)CC1 ZINC000585272031 557216625 /nfs/dbraw/zinc/21/66/25/557216625.db2.gz FCVXBKAGACIYMT-UHFFFAOYSA-N 0 3 449.595 4.639 40 0 IJABHN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222596253 557358425 /nfs/dbraw/zinc/35/84/25/557358425.db2.gz DUYUUWXIRXOCIH-QGZVFWFLSA-N 0 3 445.350 4.572 40 0 IJABHN O=C(NCC1(c2ccccc2)CCOCC1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000223066033 557424841 /nfs/dbraw/zinc/42/48/41/557424841.db2.gz ZWMJDWAYEUOLEF-UHFFFAOYSA-N 0 3 440.587 4.723 40 0 IJABHN Cc1cc(N2C(=S)N[C@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)ccc1F ZINC000224891956 557663757 /nfs/dbraw/zinc/66/37/57/557663757.db2.gz XTCXLTCIGCBUSI-PKTZIBPZSA-N 0 3 429.524 4.892 40 0 IJABHN CC(C)n1c(=O)sc2cc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)ccc21 ZINC000225166580 557695050 /nfs/dbraw/zinc/69/50/50/557695050.db2.gz DUZNSCRVGGUCRD-UHFFFAOYSA-N 0 3 427.545 4.634 40 0 IJABHN Cc1cccc(CN2CCC(C(=O)Nc3nnc(SCc4ccccc4)s3)CC2)c1 ZINC000225739725 557771206 /nfs/dbraw/zinc/77/12/06/557771206.db2.gz MHBAXCMOEOHXLT-UHFFFAOYSA-N 0 3 438.622 4.990 40 0 IJABHN S=C(NCCCN1CCc2ccccc2C1)Nc1ccc(Br)c(Cl)c1 ZINC000225743262 557771775 /nfs/dbraw/zinc/77/17/75/557771775.db2.gz BKTVYIJFLCILJG-UHFFFAOYSA-N 0 3 438.822 4.837 40 0 IJABHN Cc1nc2cc([C@H]3CCCN3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257217285 568673179 /nfs/dbraw/zinc/67/31/79/568673179.db2.gz CYJFUOMKNFMOTI-SQJMNOBHSA-N 0 3 449.643 4.831 40 0 IJABHN Cc1cc(C)n(CCCC(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)n1 ZINC000257278602 568701560 /nfs/dbraw/zinc/70/15/60/568701560.db2.gz OCWSABYKZSKDIN-FQEVSTJZSA-N 0 3 435.547 4.882 40 0 IJABHN Cc1nc2cc([C@H]3CCCN3C3CCCCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257295478 568709310 /nfs/dbraw/zinc/70/93/10/568709310.db2.gz QYLIBFGTVIXMPO-XMMPIXPASA-N 0 3 437.632 4.807 40 0 IJABHN COCc1cc(CN2CCC[C@H](c3cccc(Nc4cnccn4)n3)C2)ccc1OC(C)C ZINC000257297040 568710077 /nfs/dbraw/zinc/71/00/77/568710077.db2.gz RFNLIEFAJHMDDH-NRFANRHFSA-N 0 3 447.583 4.928 40 0 IJABHN CCN1CCN(Cc2ccc3[nH]ccc3c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257309656 568715297 /nfs/dbraw/zinc/71/52/97/568715297.db2.gz UBVJSMDVJXCCKH-VWLOTQADSA-N 0 3 438.575 4.753 40 0 IJABHN O=C1CCCC[C@]2(CN(Cc3cccc(OCc4ccccn4)c3)C[C@H]2c2ccccc2)N1 ZINC000257309968 568715341 /nfs/dbraw/zinc/71/53/41/568715341.db2.gz UDCRBAHPPWKMFO-XTEPFMGCSA-N 0 3 441.575 4.689 40 0 IJABHN Cc1csc(Nc2cncc(C3CCN(Cc4cn(C)c5ccc(F)cc45)CC3)n2)n1 ZINC000257312885 568716823 /nfs/dbraw/zinc/71/68/23/568716823.db2.gz UQBLTOKUEFPHTH-UHFFFAOYSA-N 0 3 436.560 4.996 40 0 IJABHN c1ccc(COc2cccc(CN3CCOC[C@H](Cc4cccc5cccnc54)C3)c2)nc1 ZINC000257338030 568727814 /nfs/dbraw/zinc/72/78/14/568727814.db2.gz YVNCIUHWKLMRNQ-HSZRJFAPSA-N 0 3 439.559 4.900 40 0 IJABHN Cc1cc(Nc2cccc(F)c2)cc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000257341977 568729448 /nfs/dbraw/zinc/72/94/48/568729448.db2.gz ZMPMQERNGHEBQY-GOSISDBHSA-N 0 3 433.483 4.674 40 0 IJABHN COc1ccc2c(CN3CCC(c4cncc(Nc5ncccc5C)n4)CC3)cn(C)c2c1 ZINC000257343484 568729876 /nfs/dbraw/zinc/72/98/76/568729876.db2.gz ZTEZGWQATXNDQL-UHFFFAOYSA-N 0 3 442.567 4.804 40 0 IJABHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)c1ncoc1-c1ccccc1 ZINC000013565407 568905029 /nfs/dbraw/zinc/90/50/29/568905029.db2.gz MFIIQBWSXQQZTE-UHFFFAOYSA-N 0 3 438.531 4.916 40 0 IJABHN CCOc1ccc(CN2CCC[C@@](Cc3cc(-c4ccccc4)no3)(C(=O)N(C)C)C2)cc1 ZINC000057775181 568909128 /nfs/dbraw/zinc/90/91/28/568909128.db2.gz QJSXPVFTHKDHME-MHZLTWQESA-N 0 3 447.579 4.653 40 0 IJABHN CN(C)c1nc2ccccc2cc1CN1CC[C@H](c2cc(COc3ccccc3F)[nH]n2)C1 ZINC000019704712 569233550 /nfs/dbraw/zinc/23/35/50/569233550.db2.gz CIBSDLCRSBRJRB-IBGZPJMESA-N 0 3 445.542 4.732 40 0 IJABHN Cc1nc([C@]2(O)CCCN(CC3=CCCOC3)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705375 569234127 /nfs/dbraw/zinc/23/41/27/569234127.db2.gz FVUQSVVHZQSPAZ-QHCPKHFHSA-N 0 3 449.016 4.704 40 0 IJABHN Cc1nc([C@@]2(O)CCCN(CC3=CCCOC3)CC2)sc1COc1ccc(Cl)cc1 ZINC000019705374 569234164 /nfs/dbraw/zinc/23/41/64/569234164.db2.gz FVUQSVVHZQSPAZ-HSZRJFAPSA-N 0 3 449.016 4.704 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1 ZINC000008763735 569290296 /nfs/dbraw/zinc/29/02/96/569290296.db2.gz DGYIORVYEFFGSJ-NJYVYQBISA-N 0 3 438.405 4.757 40 0 IJABHN Cc1ccc(N2OC3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]3[C@@H]2c2ccco2)cc1 ZINC000011859882 569303118 /nfs/dbraw/zinc/30/31/18/569303118.db2.gz OSIPTGSIYCIGGH-HSALFYBXSA-N 0 3 442.393 4.658 40 0 IJABHN COCCCn1c(C)cc(C(=O)CN2C(C)=N[C@@H](Cc3c[nH]c4ccccc34)[C@@H]2C)c1C ZINC000070503707 569545088 /nfs/dbraw/zinc/54/50/88/569545088.db2.gz FPJRAOJSVAYQHH-DFBJGRDBSA-N 0 3 434.584 4.539 40 0 IJABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c3ccc(-c3ccc(SC)cc3)c2=O)cc1 ZINC000004237316 291391749 /nfs/dbraw/zinc/39/17/49/291391749.db2.gz NUZABJNQXLGKKC-PZJWPPBQSA-N 0 3 432.589 4.865 40 0 biogenic,in-vitro IJABHN COc1ccc(CNC(=O)[C@@H]2Cc3cn(CC4CC4)c4cccc(c34)[C@H](CC(C)C)N2)cc1 ZINC000049171547 291391837 /nfs/dbraw/zinc/39/18/37/291391837.db2.gz PLSVMSUNOMVGQF-DQEYMECFSA-N 0 3 445.607 4.978 40 0 biogenic,in-vitro IJABHN CCOC(=O)C1=C(C)N(c2ccc(C)cc2)C(=O)CC1C(=O)Nc1cccc2ccccc21 ZINC000020798650 520479289 /nfs/dbraw/zinc/47/92/89/520479289.db2.gz BOMPIGUKFDLGIO-JOCHJYFZSA-N 0 3 442.515 4.977 40 0 IJABHN Cc1ccc(Cl)cc1N1CCN(C(=O)c2ccc(CN3CCC(C)CC3)cc2)CC1 ZINC000022524475 524733847 /nfs/dbraw/zinc/73/38/47/524733847.db2.gz HWUVVDYTQPDXKR-UHFFFAOYSA-N 0 3 426.004 4.843 40 0 IJABHN Cc1nccn1-c1ccc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)cc1 ZINC000038756241 556618161 /nfs/dbraw/zinc/61/81/61/556618161.db2.gz GPAUCSHCPYMLDT-UHFFFAOYSA-N 0 3 436.559 4.669 40 0 IJABHN CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(CCCc3ccccc3)C[C@H]21 ZINC000514289576 556623888 /nfs/dbraw/zinc/62/38/88/556623888.db2.gz LFKGBTVACKTLCC-RSXGOPAZSA-N 0 3 448.513 4.782 40 0 biogenic,in-vitro IJABHN O=C(NCc1ccccc1)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038854946 556625347 /nfs/dbraw/zinc/62/53/47/556625347.db2.gz CGNQGFRXTBVDBZ-QFIPXVFZSA-N 0 3 445.538 4.606 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccs4)[C@H]3C2=O)cc1 ZINC000101020621 556644053 /nfs/dbraw/zinc/64/40/53/556644053.db2.gz WZGPSKSACMITHU-VSKRKVRLSA-N 0 3 434.517 4.588 40 0 IJABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(OCc3ccccc3F)cc2)CC1 ZINC000019020527 556693346 /nfs/dbraw/zinc/69/33/46/556693346.db2.gz SZJOUNAPWSDMOT-MHZLTWQESA-N 0 3 447.554 4.889 40 0 IJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@H]1c1cncc(Cc2cccc(F)c2)n1 ZINC000257203101 556701345 /nfs/dbraw/zinc/70/13/45/556701345.db2.gz AOSCZHVVRCWFFG-SANMLTNESA-N 0 3 444.554 4.780 40 0 IJABHN Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)c(C)cc1O2 ZINC000019125614 556703184 /nfs/dbraw/zinc/70/31/84/556703184.db2.gz WSJFAQGUISZBKH-YADHBBJMSA-N 0 3 440.971 4.822 40 0 IJABHN c1cncc(COc2cccc(CN3CCOC[C@H](Cc4ccc5ncccc5c4)C3)c2)c1 ZINC000257330068 556705581 /nfs/dbraw/zinc/70/55/81/556705581.db2.gz XMQSXARYMHWNLX-RUZDIDTESA-N 0 3 439.559 4.900 40 0 IJABHN COc1ccccc1-c1ccccc1CN1CCOC[C@@H](Cc2nccn3cccc23)C1 ZINC000257256211 556712102 /nfs/dbraw/zinc/71/21/02/556712102.db2.gz KKMQWYBFPISBJD-NRFANRHFSA-N 0 3 427.548 4.701 40 0 IJABHN CN1C(=O)C2(C[C@@H]1Cc1ccccc1)CCN(Cc1ccccc1N1CCCCC1)CC2 ZINC000257256908 556712335 /nfs/dbraw/zinc/71/23/35/556712335.db2.gz KNJGYZGRKAKFCZ-VWLOTQADSA-N 0 3 431.624 4.733 40 0 IJABHN c1ccc(COc2cccc(CN3CCOC[C@@H](Cc4ccc5ccncc5c4)C3)c2)nc1 ZINC000257291403 556716304 /nfs/dbraw/zinc/71/63/04/556716304.db2.gz QGUJEYADLURDPD-DEOSSOPVSA-N 0 3 439.559 4.900 40 0 IJABHN CCc1ccc2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000000880588 556732263 /nfs/dbraw/zinc/73/22/63/556732263.db2.gz JAFPSCBDSWBJKZ-UHFFFAOYSA-N 0 3 443.016 4.505 40 0 IJABHN Cc1cc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)cc2c1 ZINC000000880633 556732650 /nfs/dbraw/zinc/73/26/50/556732650.db2.gz VQRWGUSTOVSAFQ-UHFFFAOYSA-N 0 3 443.016 4.559 40 0 IJABHN O=C(NCc1ccc(F)cc1)c1cc(C2CCN(Cc3ccc4ncccc4c3)CC2)no1 ZINC000019347003 556742908 /nfs/dbraw/zinc/74/29/08/556742908.db2.gz OAXVXSYWGOHZLJ-UHFFFAOYSA-N 0 3 444.510 4.672 40 0 IJABHN O=C(CCc1ccccc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000019370893 556748454 /nfs/dbraw/zinc/74/84/54/556748454.db2.gz SSJNHGFHPCFYQM-WNCULLNHSA-N 0 3 431.555 4.923 40 0 IJABHN CCN1CCC[C@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000001371105 556783751 /nfs/dbraw/zinc/78/37/51/556783751.db2.gz GIKNDLOZCXRWCS-QHCPKHFHSA-N 0 3 432.568 4.663 40 0 IJABHN COCCOc1ccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1 ZINC000019568892 556808955 /nfs/dbraw/zinc/80/89/55/556808955.db2.gz NOTASRAMIWZEQD-KRWDZBQOSA-N 0 3 449.473 4.955 40 0 IJABHN COc1ccc(OC)c(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568879 556808996 /nfs/dbraw/zinc/80/89/96/556808996.db2.gz QLFUYOZBQSCVLR-AWEZNQCLSA-N 0 3 435.446 4.947 40 0 IJABHN Nc1ncnc2nc([C@H]3CCCN(Cc4ccc5ncccc5c4)C3)cc(C(F)(F)F)c12 ZINC000019743273 556887636 /nfs/dbraw/zinc/88/76/36/556887636.db2.gz NFYUXVHLWWLHHB-INIZCTEOSA-N 0 3 438.457 4.554 40 0 IJABHN Cc1nc2c(C)cccn2c1CN1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1 ZINC000072371735 556940371 /nfs/dbraw/zinc/94/03/71/556940371.db2.gz INKIBTRUYAWTSC-IBGZPJMESA-N 0 3 449.986 4.939 40 0 IJABHN Cc1nc2c(C)cccn2c1CN1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371735 556940375 /nfs/dbraw/zinc/94/03/75/556940375.db2.gz INKIBTRUYAWTSC-IBGZPJMESA-N 0 3 449.986 4.939 40 0 IJABHN COCc1cc(CN2CCC(c3ccc(Nc4cnccn4)cn3)CC2)ccc1OC(C)C ZINC000072374343 556947954 /nfs/dbraw/zinc/94/79/54/556947954.db2.gz DIAMTKWPQKJEET-UHFFFAOYSA-N 0 3 447.583 4.928 40 0 IJABHN C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000072398655 556970379 /nfs/dbraw/zinc/97/03/79/556970379.db2.gz RVMWWVHTKRNJOS-VYWDTDEQSA-N 0 3 426.564 4.763 40 0 IJABHN CCOc1ccccc1[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000101098134 557120365 /nfs/dbraw/zinc/12/03/65/557120365.db2.gz BVWGGNMNALAHCY-VJBWXMMDSA-N 0 3 448.906 4.790 40 0 IJABHN Cc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000102712498 557133184 /nfs/dbraw/zinc/13/31/84/557133184.db2.gz DOMCVTQHEFCIBE-FDFHNCONSA-N 0 3 436.870 4.839 40 0 IJABHN O=S(=O)(Cc1ccccc1)N1CC[C@@]2(CCN(Cc3ccc(-c4ccccc4)cc3)C2)C1 ZINC000096071133 557167978 /nfs/dbraw/zinc/16/79/78/557167978.db2.gz XIVFHMSBNMZJKA-HHHXNRCGSA-N 0 3 446.616 4.781 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)cc1 ZINC000097954475 557178147 /nfs/dbraw/zinc/17/81/47/557178147.db2.gz GXKIREHZUOTFOE-SMIHKQSGSA-N 0 3 446.478 4.666 40 0 IJABHN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038855431 557249532 /nfs/dbraw/zinc/24/95/32/557249532.db2.gz DEEQJZBFFZPVSN-MJGOQNOKSA-N 0 3 427.976 4.719 40 0 IJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(C)cc4C)[C@@H]3C2=O)cc1 ZINC000101239856 557294023 /nfs/dbraw/zinc/29/40/23/557294023.db2.gz ILHSREBFKREXTF-SDHOMARFSA-N 0 3 442.515 4.753 40 0 IJABHN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccnc3ccccc23)C1 ZINC000072344811 557377100 /nfs/dbraw/zinc/37/71/00/557377100.db2.gz JYHMCSHQHGMRRK-JOCHJYFZSA-N 0 3 439.563 4.610 40 0 IJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@@H]3C2=O)c(C)c1 ZINC000101154340 557392530 /nfs/dbraw/zinc/39/25/30/557392530.db2.gz MWQRUOLFFTVKCY-XWGVYQGASA-N 0 3 430.479 4.802 40 0 IJABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000100712110 557455119 /nfs/dbraw/zinc/45/51/19/557455119.db2.gz ZTJMXKJXJKCFMB-XPWALMASSA-N 0 3 448.906 4.708 40 0 IJABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223282038 557455601 /nfs/dbraw/zinc/45/56/01/557455601.db2.gz JENICTSPHPCPNX-LOSJGSFVSA-N 0 3 441.604 4.560 40 0 IJABHN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223286258 557456034 /nfs/dbraw/zinc/45/60/34/557456034.db2.gz COBRVDSBZQBLTI-FCHUYYIVSA-N 0 3 441.000 4.838 40 0 IJABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4Cl)C(=O)C3ON2c2ccccc2C)cc1 ZINC000136133666 557459568 /nfs/dbraw/zinc/45/95/68/557459568.db2.gz HPEUIIQOVQZUHQ-RJGXRXQPSA-N 0 3 448.906 4.708 40 0 IJABHN O=S(=O)(Cc1c(Cl)cccc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224829916 557656451 /nfs/dbraw/zinc/65/64/51/557656451.db2.gz KCIVPUVTWXBJHT-UHFFFAOYSA-N 0 3 427.397 4.599 40 0 IJABHN CC(C)[C@@H]1C[C@@]2(CCCN(Cc3ccc4c(c3)n(C)c(=O)n4C)C2)CO[C@H]1c1ccccc1 ZINC000257219777 568674312 /nfs/dbraw/zinc/67/43/12/568674312.db2.gz DICIHLGYSGKFOQ-PAUTXSKSSA-N 0 3 447.623 4.893 40 0 IJABHN CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(Cc4cccc(OCCO)c4)CC3)C[C@@H]21 ZINC000257254931 568690671 /nfs/dbraw/zinc/69/06/71/568690671.db2.gz KFGZLHLETJSDHW-UKILVPOCSA-N 0 3 437.580 4.589 40 0 IJABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4cn5cccnc5n4)C3)c2)cc1 ZINC000257298534 568710726 /nfs/dbraw/zinc/71/07/26/568710726.db2.gz RMDBGUQCWILXCJ-LJQANCHMSA-N 0 3 426.524 4.505 40 0 IJABHN COc1cc2c(cc1CN1CCC(c3cncc(Nc4ncccc4C)n3)CC1)CCC2 ZINC000257322864 568721056 /nfs/dbraw/zinc/72/10/56/568721056.db2.gz WHTGYFWIIKUFPB-UHFFFAOYSA-N 0 3 429.568 4.801 40 0 IJABHN Cc1nc2cc([C@H]3CCCCN3CC3CCCCC3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257343316 568729932 /nfs/dbraw/zinc/72/99/32/568729932.db2.gz ZSJLZWPILRCYSQ-XMMPIXPASA-N 0 3 437.632 4.665 40 0 IJABHN Cc1nc([C@H]2CCCN(Cc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257343928 568730134 /nfs/dbraw/zinc/73/01/34/568730134.db2.gz ZUZKQCUKZJESCC-NRFANRHFSA-N 0 3 432.543 4.793 40 0 IJABHN O=C(c1cnc2cc(Cl)ccc2c1[O-])N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198794 568921680 /nfs/dbraw/zinc/92/16/80/568921680.db2.gz IKNIRVYOYACPMV-TXKCWOHGSA-N 0 3 437.971 4.629 40 0 IJABHN O=C(c1cnc2cc(Cl)ccc2c1[O-])N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@H]21 ZINC000257198794 568921681 /nfs/dbraw/zinc/92/16/81/568921681.db2.gz IKNIRVYOYACPMV-TXKCWOHGSA-N 0 3 437.971 4.629 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019235953 569226063 /nfs/dbraw/zinc/22/60/63/569226063.db2.gz DEWBTMKTRLMKPD-SQJMNOBHSA-N 0 3 447.554 4.921 40 0 IJABHN CCc1nc(-c2cncnc2[C@H]2CCN(Cc3cn(C(C)C)c4ccc(OC)cc34)C2)no1 ZINC000019693727 569229139 /nfs/dbraw/zinc/22/91/39/569229139.db2.gz ACAINRFRPDBBJL-KRWDZBQOSA-N 0 3 446.555 4.623 40 0 IJABHN CCCOc1ccccc1CN1CC[C@H](c2ncc(C(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000019758036 569237306 /nfs/dbraw/zinc/23/73/06/569237306.db2.gz SBQHOOFBGLGDQN-FQEVSTJZSA-N 0 3 448.542 4.955 40 0 IJABHN COc1cccc2cc(CN3CCC[C@@H](c4ncc(C(=O)N5CCCCC5)c(C)n4)C3)oc21 ZINC000019763315 569237846 /nfs/dbraw/zinc/23/78/46/569237846.db2.gz ZWAZUXUTXIUQOR-HXUWFJFHSA-N 0 3 448.567 4.546 40 0 IJABHN Cc1nc(C2CCN(Cc3cccc4ncccc34)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764261 569238379 /nfs/dbraw/zinc/23/83/79/569238379.db2.gz QZAJWXDHZKZQGS-UHFFFAOYSA-N 0 3 437.547 4.965 40 0 IJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000009192450 569294270 /nfs/dbraw/zinc/29/42/70/569294270.db2.gz VVVMRLYSMZETSR-ZLNRFVROSA-N 0 3 448.906 4.790 40 0 IJABHN COc1ccccc1OCCN(C[C@H](O)COc1cccc2[nH]c3ccccc3c21)C(C)C ZINC000065743082 569296940 /nfs/dbraw/zinc/29/69/40/569296940.db2.gz LQUBFKUWSKDUMH-FQEVSTJZSA-N 0 3 448.563 4.859 40 0 in-vitro IJABHN Cc1nc([C@@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766291 569329005 /nfs/dbraw/zinc/32/90/05/569329005.db2.gz JSZHECSVDPHJOF-HSZRJFAPSA-N 0 3 439.563 4.576 40 0 IJABHN CCCOc1ccccc1CN1CCC(O)(Cn2cccc3cc(C(F)(F)F)nc2-3)CC1 ZINC000012158842 520474833 /nfs/dbraw/zinc/47/48/33/520474833.db2.gz IOYDCNIPUMZCPL-UHFFFAOYSA-N 0 3 447.501 4.823 40 0 IJABHN COc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000004174204 555972595 /nfs/dbraw/zinc/97/25/95/555972595.db2.gz VGDJMCOVGPXEGS-UHFFFAOYSA-N 0 3 428.754 4.551 40 0 IJABHN CN1C(=O)c2ccc(-c3ccc(F)cc3F)cc2O[C@H]2CN(C3CCC(F)(F)CC3)C[C@H]21 ZINC000514289352 556625659 /nfs/dbraw/zinc/62/56/59/556625659.db2.gz ITPZRZLSMOJGFF-IRLDBZIGSA-N 0 3 448.460 4.727 40 0 biogenic,in-vitro IJABHN Cc1ccc(C)c(NC(=O)CC2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c1 ZINC000039964037 556631136 /nfs/dbraw/zinc/63/11/36/556631136.db2.gz OAYMGOSUUFBBOD-DEOSSOPVSA-N 0 3 438.531 4.812 40 0 IJABHN CCOc1ccc(CNC(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)cc1OCC ZINC000044882948 556674349 /nfs/dbraw/zinc/67/43/49/556674349.db2.gz QBBHBPWTERLCAQ-FQEVSTJZSA-N 0 3 430.976 4.666 40 0 IJABHN Cc1nc([C@@H]2CCCN(Cc3ccccc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257265580 556713031 /nfs/dbraw/zinc/71/30/31/556713031.db2.gz LZGLTRMDKCVYIZ-OAQYLSRUSA-N 0 3 432.543 4.793 40 0 IJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000013714209 556715618 /nfs/dbraw/zinc/71/56/18/556715618.db2.gz KRQORUMZGUNJPE-VABKMULXSA-N 0 3 432.907 4.954 40 0 IJABHN Cc1cc(C)c2cc(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1 ZINC000000880657 556732562 /nfs/dbraw/zinc/73/25/62/556732562.db2.gz CJEOMWXBKCNVEM-UHFFFAOYSA-N 0 3 443.016 4.559 40 0 IJABHN Cc1ccc(C)c2[nH]c(=O)c(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)cc12 ZINC000000880642 556732583 /nfs/dbraw/zinc/73/25/83/556732583.db2.gz HOBSRDJEGISVAT-UHFFFAOYSA-N 0 3 443.016 4.559 40 0 IJABHN CCn1cc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019524761 556782036 /nfs/dbraw/zinc/78/20/36/556782036.db2.gz UCMXEHYGSBTWKO-PKTZIBPZSA-N 0 3 440.971 4.699 40 0 IJABHN Cc1cc(-c2cn[nH]c2)cc(C2CCN(Cc3cc4ccccc4nc3N(C)C)CC2)n1 ZINC000019692193 556848489 /nfs/dbraw/zinc/84/84/89/556848489.db2.gz WEPGFRNPHFFWLR-UHFFFAOYSA-N 0 3 426.568 4.774 40 0 IJABHN CN(CCCc1ccccc1)C(=O)c1ccc([C@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019752788 556896357 /nfs/dbraw/zinc/89/63/57/556896357.db2.gz MSKNMYMLRIUXOL-DEOSSOPVSA-N 0 3 428.580 4.561 40 0 IJABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)cc1 ZINC000072330489 556906283 /nfs/dbraw/zinc/90/62/83/556906283.db2.gz WCILFSWZHNERAL-NVQXNPDNSA-N 0 3 429.564 4.782 40 0 IJABHN Cc1nc([C@@H]2CCCN(Cc3ccc4ncccc4c3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765144 556909671 /nfs/dbraw/zinc/90/96/71/556909671.db2.gz KRXZBRDFZXJETJ-JOCHJYFZSA-N 0 3 437.547 4.965 40 0 IJABHN COc1ccccc1-c1ccc(CN2CCC[C@@H]([C@H](NC(C)=O)c3nccs3)C2)cc1 ZINC000072337764 556910757 /nfs/dbraw/zinc/91/07/57/556910757.db2.gz QLGIEBAFAJBLPT-QPPBQGQZSA-N 0 3 435.593 4.908 40 0 IJABHN COCCNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1cnc(C)s1 ZINC000072370505 556935130 /nfs/dbraw/zinc/93/51/30/556935130.db2.gz KCXZVBQPDHMVQT-QGZVFWFLSA-N 0 3 443.638 4.640 40 0 IJABHN COc1cccc(CN2CC=CC[C@H](C3CCN(Cc4ccc5[nH]ccc5c4)CC3)C2=O)c1 ZINC000072380245 556958191 /nfs/dbraw/zinc/95/81/91/556958191.db2.gz JLSZEYDIXSMMON-AREMUKBSSA-N 0 3 443.591 4.993 40 0 IJABHN Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNCc1ccccn1 ZINC000095252493 557130594 /nfs/dbraw/zinc/13/05/94/557130594.db2.gz ZTLKEYROLSIJBC-DFCKQENNSA-N 0 3 437.591 4.603 40 0 biogenic,in-vitro IJABHN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCCN1Cc1cccc2ncccc12 ZINC000585168855 557131464 /nfs/dbraw/zinc/13/14/64/557131464.db2.gz KHQGMXNFVVVCKZ-VWLOTQADSA-N 0 3 439.563 4.957 40 0 IJABHN Cc1cnc(Nc2cccc(CC3CCN(Cc4ccc5nccnc5c4)CC3)n2)s1 ZINC000585262725 557201975 /nfs/dbraw/zinc/20/19/75/557201975.db2.gz ZJZLMQBTCQQBEQ-UHFFFAOYSA-N 0 3 430.581 4.988 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@@H](c3cccc(Br)c3)[C@@H]2C(=O)N1c1ccccc1 ZINC000169683011 557210317 /nfs/dbraw/zinc/21/03/17/557210317.db2.gz GNQZNWLVJIDMTL-ACRUOGEOSA-N 0 3 449.304 4.500 40 0 IJABHN CCOC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000022913839 557272977 /nfs/dbraw/zinc/27/29/77/557272977.db2.gz AQYOMQHTYWMKCJ-UHFFFAOYSA-N 0 3 428.532 4.982 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000033925058 557385397 /nfs/dbraw/zinc/38/53/97/557385397.db2.gz IXPCHQBOAOQVFT-SMIHKQSGSA-N 0 3 446.478 4.666 40 0 IJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)cc4)[C@H]3C2=O)c(C)c1 ZINC000101154343 557392700 /nfs/dbraw/zinc/39/27/00/557392700.db2.gz MWQRUOLFFTVKCY-JRFVFWCSSA-N 0 3 430.479 4.802 40 0 IJABHN CC1CCN(CCOc2ccc(NC(=O)C3(c4ccccc4F)CCOCC3)cc2)CC1 ZINC000225571379 557744679 /nfs/dbraw/zinc/74/46/79/557744679.db2.gz HFUUTFQPABUETQ-UHFFFAOYSA-N 0 3 440.559 4.623 40 0 IJABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccccc2Cl)CCOCC1 ZINC000225577026 557745882 /nfs/dbraw/zinc/74/58/82/557745882.db2.gz FVPVPPDYPUUNPQ-UHFFFAOYSA-N 0 3 442.987 4.892 40 0 IJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)c3cc4c([nH]c3=O)CCCC4)C2)n1 ZINC000257200848 568665513 /nfs/dbraw/zinc/66/55/13/568665513.db2.gz AFCRJHBQHSJFAY-SFHVURJKSA-N 0 3 446.526 4.882 40 0 IJABHN COc1ccc(-c2nccc([C@@H]3CCCN3C(=O)c3ccccc3CN3CCCC3)n2)cc1 ZINC000257212247 568670878 /nfs/dbraw/zinc/67/08/78/568670878.db2.gz CCMWFTDMCBKCER-VWLOTQADSA-N 0 3 442.563 4.725 40 0 IJABHN COc1ccc([C@H]2C[C@@](C)(NC(C)=O)[C@@H]3CC[C@@H](C)C[C@H]3O2)cc1CN1CCCCC1 ZINC000257220009 568674292 /nfs/dbraw/zinc/67/42/92/568674292.db2.gz DJEOBWBSBFSRTO-CMLYAFSASA-N 0 3 428.617 4.842 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@H](Cc2ccc3ccncc3c2)C1 ZINC000257286441 568705184 /nfs/dbraw/zinc/70/51/84/568705184.db2.gz PLPKDINOYBXRAW-HSZRJFAPSA-N 0 3 443.591 4.552 40 0 IJABHN CC(C)C(=O)N1CCCC[C@H]1c1nnc(C2CCN(Cc3ccnc4ccccc34)CC2)o1 ZINC000257309258 568715227 /nfs/dbraw/zinc/71/52/27/568715227.db2.gz UAGFTJPFIXCVTQ-QHCPKHFHSA-N 0 3 447.583 4.707 40 0 IJABHN Cc1nc([C@H]2CCN(Cc3ccc(F)cc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257315056 568717709 /nfs/dbraw/zinc/71/77/09/568717709.db2.gz UZSUORCLWOWFRP-IBGZPJMESA-N 0 3 436.506 4.542 40 0 IJABHN Cc1nc2cc([C@@H]3CCCN3CC3CCCCC3)nn2c(C)c1CCC(=O)N1CCCC1 ZINC000257330717 568724730 /nfs/dbraw/zinc/72/47/30/568724730.db2.gz XPPUJMIOJXXUEF-DEOSSOPVSA-N 0 3 437.632 4.618 40 0 IJABHN Cc1ccc(OCC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000028295303 568864399 /nfs/dbraw/zinc/86/43/99/568864399.db2.gz PIKMDPJDGCIQNC-HHHXNRCGSA-N 0 3 444.619 4.840 40 0 IJABHN COc1cccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1 ZINC000017838207 569265582 /nfs/dbraw/zinc/26/55/82/569265582.db2.gz WTGWVVNWSIZOJE-VJBWXMMDSA-N 0 3 448.906 4.708 40 0 IJABHN OCCN1CCN(CCC[C@@H]2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000077291818 569293309 /nfs/dbraw/zinc/29/33/09/569293309.db2.gz KQKMVCKAKBHVAL-GOSISDBHSA-N 0 3 436.543 4.692 40 0 in-vitro IJABHN CC1=C[C@@H](CN2CCOCC2)[C@H](C(C)C)C[C@H]1Cc1nnc(-c2ccc(N(C)C)cc2)o1 ZINC000035442681 520881540 /nfs/dbraw/zinc/88/15/40/520881540.db2.gz QMZHWUULAFCVQP-FIXSFTCYSA-N 0 3 438.616 4.532 40 0 biogenic,in-vitro IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@H]3C2=O)cc1 ZINC000009350737 556284376 /nfs/dbraw/zinc/28/43/76/556284376.db2.gz SMQPALBQOAGWGP-SGNDLWITSA-N 0 3 428.488 4.527 40 0 IJABHN COc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccc(Cl)cc1Cl ZINC000016576467 556616423 /nfs/dbraw/zinc/61/64/23/556616423.db2.gz VLVMLXDMJUIQOL-NSHDSACASA-N 0 3 449.172 4.814 40 0 IJABHN CCOc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688427 556626443 /nfs/dbraw/zinc/62/64/43/556626443.db2.gz JVBHQHHPTQPHDI-ZDUSSCGKSA-N 0 3 428.754 4.551 40 0 IJABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccccc2OCc2cccc(F)c2)CC1 ZINC000019020604 556693637 /nfs/dbraw/zinc/69/36/37/556693637.db2.gz NBKPBIOOYBKYAD-MHZLTWQESA-N 0 3 447.554 4.889 40 0 IJABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccccc2OCc2cccc(F)c2)CC1 ZINC000019020607 556693688 /nfs/dbraw/zinc/69/36/88/556693688.db2.gz NBKPBIOOYBKYAD-HHHXNRCGSA-N 0 3 447.554 4.889 40 0 IJABHN O=C(Cc1ccc(F)cc1)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000257223904 556708246 /nfs/dbraw/zinc/70/82/46/556708246.db2.gz DZKJCPJXMYSFBE-HFZDXXHNSA-N 0 3 435.518 4.672 40 0 IJABHN Cc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)c(F)c4)C(=O)C3ON2c2ccccc2)cc1 ZINC000013688999 556711330 /nfs/dbraw/zinc/71/13/30/556711330.db2.gz DOMCVTQHEFCIBE-FSSWDIPSSA-N 0 3 436.870 4.839 40 0 IJABHN Cc1c(C)n(C[C@@H](O)CN(C)Cc2ccc(OCc3ccccn3)cc2)c2ccccc12 ZINC000257271462 556713827 /nfs/dbraw/zinc/71/38/27/556713827.db2.gz MYKZTZCKZNUCFH-DEOSSOPVSA-N 0 3 429.564 4.725 40 0 IJABHN Cc1c(C)n(C[C@H](O)CN(C)Cc2ccc(OCc3ccccn3)cc2)c2ccccc12 ZINC000257271463 556713899 /nfs/dbraw/zinc/71/38/99/556713899.db2.gz MYKZTZCKZNUCFH-XMMPIXPASA-N 0 3 429.564 4.725 40 0 IJABHN Cc1ccccc1-c1cccc(CC2(C(=O)NC(C)C)CCN(Cc3cnn(C)c3)CC2)c1 ZINC000257279795 556714937 /nfs/dbraw/zinc/71/49/37/556714937.db2.gz OIEZXCKLFZLCPL-UHFFFAOYSA-N 0 3 444.623 4.745 40 0 IJABHN COc1c(C)cccc1CN1CCC([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019235930 556720412 /nfs/dbraw/zinc/72/04/12/556720412.db2.gz BVHWCMSGSVCZOP-HHHXNRCGSA-N 0 3 443.591 4.711 40 0 IJABHN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccc3C)c3ccccn3)C2)cc1 ZINC000019236822 556721397 /nfs/dbraw/zinc/72/13/97/556721397.db2.gz WCILFSWZHNERAL-ATIYNZHBSA-N 0 3 429.564 4.782 40 0 IJABHN Cc1cccnc1[C@]1(O)CC[C@H]2CN(Cc3cccc(OCc4ccc(F)cc4)c3)C[C@H]21 ZINC000019237856 556722899 /nfs/dbraw/zinc/72/28/99/556722899.db2.gz XAHAJWRHORGWIK-RWUBSVTLSA-N 0 3 432.539 4.838 40 0 IJABHN Cc1ccc2cc(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2c1C ZINC000000880622 556732346 /nfs/dbraw/zinc/73/23/46/556732346.db2.gz PXYKCULHBVZUHH-UHFFFAOYSA-N 0 3 443.016 4.559 40 0 IJABHN CSc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4F)C(=O)C3ON2c2ccccc2)cc1 ZINC000101182155 556745487 /nfs/dbraw/zinc/74/54/87/556745487.db2.gz WETDZGATNOLJMJ-FKBYEOEOSA-N 0 3 434.492 4.599 40 0 IJABHN O[C@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCC2 ZINC000019376350 556752213 /nfs/dbraw/zinc/75/22/13/556752213.db2.gz IXOPVFKDFGNEIV-IZZNHLLZSA-N 0 3 429.560 4.713 40 0 IJABHN Cc1ccc2[nH]c(=O)c(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)cc2c1 ZINC000001353350 556781504 /nfs/dbraw/zinc/78/15/04/556781504.db2.gz NLSJEKQTIIIWBE-UHFFFAOYSA-N 0 3 438.959 4.620 40 0 IJABHN CCN1CCC[C@H]1CN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000001371574 556784434 /nfs/dbraw/zinc/78/44/34/556784434.db2.gz KDBIDHRAHDXKKU-QHCPKHFHSA-N 0 3 432.568 4.663 40 0 IJABHN COc1ccccc1CN1CCC([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000019570108 556810176 /nfs/dbraw/zinc/81/01/76/556810176.db2.gz VJEFMTMLIVUOOR-RUZDIDTESA-N 0 3 433.527 4.613 40 0 IJABHN COc1ccc(-n2c(COc3cccc(C)c3)nnc2SCCN2CCCCC2)cc1 ZINC000008446276 556841972 /nfs/dbraw/zinc/84/19/72/556841972.db2.gz CDHRQULCDNOWBM-UHFFFAOYSA-N 0 3 438.597 4.741 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@@H]([C@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000072330483 556905772 /nfs/dbraw/zinc/90/57/72/556905772.db2.gz QXFYHGYGINJKEF-KCWPFWIISA-N 0 3 443.591 4.711 40 0 IJABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=N[C@H]1c1ccccc1 ZINC000408988093 556910683 /nfs/dbraw/zinc/91/06/83/556910683.db2.gz GWEAZYWTWPXIKI-QFIPXVFZSA-N 0 3 437.565 4.513 40 0 IJABHN Cc1nc([C@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765995 556911085 /nfs/dbraw/zinc/91/10/85/556911085.db2.gz XKYFPFQPXBJRLR-NRFANRHFSA-N 0 3 425.536 4.898 40 0 IJABHN c1csc(-c2nc(NC3CCN(Cc4ccccc4)CC3)ncc2-c2cnccn2)c1 ZINC000072340280 556912309 /nfs/dbraw/zinc/91/23/09/556912309.db2.gz ZWLLKPGTVYTLIM-UHFFFAOYSA-N 0 3 428.565 4.739 40 0 IJABHN CN1CCC(C(=O)N2CCC[C@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000072350410 556920705 /nfs/dbraw/zinc/92/07/05/556920705.db2.gz BXWPWIFORPLIRV-FQEVSTJZSA-N 0 3 445.529 4.739 40 0 IJABHN CCOc1ccc(CN2CCC[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)cc1CO ZINC000072375047 556950297 /nfs/dbraw/zinc/95/02/97/556950297.db2.gz RTJSJFOHHYCXNE-NRFANRHFSA-N 0 3 432.568 4.799 40 0 IJABHN CCOc1ccc(CN2CCC[C@@H](c3cc(Nc4ccccn4)cc(C)n3)C2)cc1CO ZINC000072375048 556950581 /nfs/dbraw/zinc/95/05/81/556950581.db2.gz RTJSJFOHHYCXNE-OAQYLSRUSA-N 0 3 432.568 4.799 40 0 IJABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCN3C(=O)[C@@H](c3ccccc3)C3CCCC3)[n-]c2=O)C1 ZINC000072398784 556970629 /nfs/dbraw/zinc/97/06/29/556970629.db2.gz QLOBMSMQOHMTDO-RPWUZVMVSA-N 0 3 448.611 4.586 40 0 IJABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCN3C(=O)[C@@H](c3ccccc3)C3CCCC3)[n-]c2=O)C1 ZINC000072398784 556970630 /nfs/dbraw/zinc/97/06/30/556970630.db2.gz QLOBMSMQOHMTDO-RPWUZVMVSA-N 0 3 448.611 4.586 40 0 IJABHN COCCN(C)c1nc(C2CCN(Cc3ccc(F)cc3)CC2)cc2c1ncn2C(C)C ZINC000096100030 557169433 /nfs/dbraw/zinc/16/94/33/557169433.db2.gz JIMKIHVWZRWFAB-UHFFFAOYSA-N 0 3 439.579 4.614 40 0 IJABHN COC1CCC(Cc2cccc(-c3cccc(F)c3)c2)(C(=O)NC2CCN(C)CC2)CC1 ZINC000585263312 557203999 /nfs/dbraw/zinc/20/39/99/557203999.db2.gz VOEJTDXXPPDFCE-UHFFFAOYSA-N 0 3 438.587 4.821 40 0 IJABHN COc1cc(CN2C[C@@H](c3ccccc3)[C@H](c3cc(C(F)F)n[nH]3)C2)cc(OC)c1OC ZINC000057773945 557263407 /nfs/dbraw/zinc/26/34/07/557263407.db2.gz QVPNYPHHOFNTAL-ZWKOTPCHSA-N 0 3 443.494 4.756 40 0 IJABHN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000072344832 557376903 /nfs/dbraw/zinc/37/69/03/557376903.db2.gz WXDLILUMUVZNAW-NRFANRHFSA-N 0 3 428.536 4.808 40 0 IJABHN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@H]1CCCN(Cc2ccnc3ccccc23)C1 ZINC000072344812 557377030 /nfs/dbraw/zinc/37/70/30/557377030.db2.gz JYHMCSHQHGMRRK-QFIPXVFZSA-N 0 3 439.563 4.610 40 0 IJABHN Cc1ccc(Sc2ccc([C@@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1 ZINC000223262933 557452407 /nfs/dbraw/zinc/45/24/07/557452407.db2.gz UDGBTSORLGULBA-FGZHOGPDSA-N 0 3 438.622 4.668 40 0 IJABHN Cc1cc([C@@H]2[C@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C1CCCCC1 ZINC000223264289 557452551 /nfs/dbraw/zinc/45/25/51/557452551.db2.gz KOPDWSQQYCYKRW-XZOQPEGZSA-N 0 3 425.646 4.539 40 0 IJABHN Cc1cc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)c(C)n1C1CCCCC1 ZINC000223264177 557452630 /nfs/dbraw/zinc/45/26/30/557452630.db2.gz KOPDWSQQYCYKRW-DHIUTWEWSA-N 0 3 425.646 4.539 40 0 IJABHN Cc1ccc(Cl)cc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223287402 557456060 /nfs/dbraw/zinc/45/60/60/557456060.db2.gz NLZCSNGGIMALJO-FGZHOGPDSA-N 0 3 441.000 4.838 40 0 IJABHN Cc1ccc(-c2ccc([C@@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1Cl ZINC000223288024 557456247 /nfs/dbraw/zinc/45/62/47/557456247.db2.gz CVNGFBDETFPBRX-FCHUYYIVSA-N 0 3 441.000 4.838 40 0 IJABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2C)cc1 ZINC000138598398 557459869 /nfs/dbraw/zinc/45/98/69/557459869.db2.gz MXDJBYWEIIEIQR-RJGXRXQPSA-N 0 3 448.906 4.708 40 0 IJABHN COc1ccc(OC)c([C@@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000223560428 557485906 /nfs/dbraw/zinc/48/59/06/557485906.db2.gz FGYTXNZHSMCEAN-LJQANCHMSA-N 0 3 430.548 4.753 40 0 IJABHN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000223788613 557513414 /nfs/dbraw/zinc/51/34/14/557513414.db2.gz UXEBMYZFAIREHP-ZEQRLZLVSA-N 0 3 441.560 4.843 40 0 IJABHN Cc1ccccc1CN1CCC(C(=O)Nc2nnc(SCc3ccccc3)s2)CC1 ZINC000224082335 557557901 /nfs/dbraw/zinc/55/79/01/557557901.db2.gz TWFAQLNXFUWUTO-UHFFFAOYSA-N 0 3 438.622 4.990 40 0 IJABHN Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN(Cc3cccc(-c4cccc(F)c4)c3)C2)n1 ZINC000257216312 568672558 /nfs/dbraw/zinc/67/25/58/568672558.db2.gz CTZFPAFPLUOICF-HHHXNRCGSA-N 0 3 446.570 4.847 40 0 IJABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4c(OC)cccc4OC)C3)c2)c1 ZINC000257271698 568698645 /nfs/dbraw/zinc/69/86/45/568698645.db2.gz MZKJFRKHQBUGJE-SFHVURJKSA-N 0 3 447.535 4.789 40 0 IJABHN CC1(C)CCCN(C(=O)[C@@H]2C[C@H](c3ccn(-c4ccccc4)n3)[C@H](c3cccc(F)c3)N2)C1 ZINC000257282432 568703321 /nfs/dbraw/zinc/70/33/21/568703321.db2.gz OTTOSCFNUZCGML-VJTSUQJLSA-N 0 3 446.570 4.847 40 0 IJABHN Cc1ccccc1CN1CCC[C@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257285906 568704814 /nfs/dbraw/zinc/70/48/14/568704814.db2.gz PJJRNASKHYHWOK-QHCPKHFHSA-N 0 3 434.628 4.773 40 0 IJABHN COc1ccc(Nc2cc(C)nc([C@H]3CCN(C(=O)COc4ccccc4OC)C3)c2)cc1 ZINC000257307864 568714613 /nfs/dbraw/zinc/71/46/13/568714613.db2.gz TUKZFYKGOYCOEX-IBGZPJMESA-N 0 3 447.535 4.546 40 0 IJABHN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H](c4cc(Nc5nccs5)cc(C)n4)C3)c2c1 ZINC000257321205 568720480 /nfs/dbraw/zinc/72/04/80/568720480.db2.gz WAPGGBDPXTYLAL-MRXNPFEDSA-N 0 3 432.553 4.795 40 0 IJABHN Cc1nc2c(n1C(C)C)CN(C(=O)c1ccco1)CC21CCN(Cc2ccccc2)CC1 ZINC000306130153 568766232 /nfs/dbraw/zinc/76/62/32/568766232.db2.gz IXQUMKMSRGNZMJ-UHFFFAOYSA-N 0 3 432.568 4.555 40 0 IJABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC000019234969 569226169 /nfs/dbraw/zinc/22/61/69/569226169.db2.gz BSULTUGJESCVLW-BKMJKUGQSA-N 0 3 429.564 4.782 40 0 IJABHN CC(C)[N@@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)[C@H](c3ccccc3)C3CCCC3)[n-]c2=O)C1 ZINC000019448377 569226635 /nfs/dbraw/zinc/22/66/35/569226635.db2.gz QLOBMSMQOHMTDO-BJKOFHAPSA-N 0 3 448.611 4.586 40 0 IJABHN CC(C)[N@H+]1CCc2c(nc([C@@H]3CCCN3C(=O)[C@H](c3ccccc3)C3CCCC3)[n-]c2=O)C1 ZINC000019448377 569226637 /nfs/dbraw/zinc/22/66/37/569226637.db2.gz QLOBMSMQOHMTDO-BJKOFHAPSA-N 0 3 448.611 4.586 40 0 IJABHN COc1ccc(CN2CC[C@@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)cc1OC ZINC000019705138 569233962 /nfs/dbraw/zinc/23/39/62/569233962.db2.gz DAEFMKJNCMOGLM-QGZVFWFLSA-N 0 3 427.932 4.649 40 0 IJABHN Fc1ccc(OCCc2cc([C@@H]3CCCN3Cc3ccc4nccnc4c3)n[nH]2)cc1F ZINC000019695867 569326785 /nfs/dbraw/zinc/32/67/85/569326785.db2.gz RMKDOABBZQPXSX-DEOSSOPVSA-N 0 3 435.478 4.590 40 0 IJABHN CCN(C(=O)c1ccc(C)c(-n2cccn2)c1)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019711800 569327637 /nfs/dbraw/zinc/32/76/37/569327637.db2.gz AYUIJUGKKOPZAP-AZGAKELHSA-N 0 3 446.595 4.625 40 0 IJABHN C/C(=C\c1ccccc1)CN1CCC[C@H](c2ncc(C(=O)NCc3ccccc3)c(C)n2)C1 ZINC000019763520 569328864 /nfs/dbraw/zinc/32/88/64/569328864.db2.gz UUVVAGFSTLWDDU-JYACYGOOSA-N 0 3 440.591 4.998 40 0 IJABHN Cc1cc(Cn2cc3c4c2cccc4[C@H](CC(C)C)N[C@H](C(=O)N2CCCCCC2)C3)no1 ZINC000049171934 291392865 /nfs/dbraw/zinc/39/28/65/291392865.db2.gz LMUXJPODODYQTQ-ZEQRLZLVSA-N 0 3 448.611 4.990 40 0 biogenic,in-vitro IJABHN COc1ccc(CN2C[C@H]3C[C@@H](C2)Cn2c(=O)ccc(-c4ccc(SC)cc4)c23)cc1 ZINC000004258740 291391744 /nfs/dbraw/zinc/39/17/44/291391744.db2.gz HOGJZZWUPMUDRS-PZJWPPBQSA-N 0 3 432.589 4.865 40 0 biogenic,in-vitro IJABHN O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCCN(Cc3ccnc4ccccc34)[C@H]2C1 ZINC000012144165 526752250 /nfs/dbraw/zinc/75/22/50/526752250.db2.gz ICHSLBXTXRIIFR-XXBNENTESA-N 0 3 439.481 4.990 40 0 IJABHN Cc1nc2cc(C(F)(F)F)ccc2n1C1CCN(CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000012640248 527119521 /nfs/dbraw/zinc/11/95/21/527119521.db2.gz JWPPTNGTWUKSGL-IYBDPMFKSA-N 0 3 436.522 4.790 40 0 IJABHN O=C(Nc1ccccc1C(=O)N1CCCCCC1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030941745 556516203 /nfs/dbraw/zinc/51/62/03/556516203.db2.gz WLHPDKDPQRABSR-OAQYLSRUSA-N 0 3 437.559 4.693 40 0 IJABHN CCOc1cc(CNC[C@H]2CCCO2)cc(Br)c1OCc1ccc(F)cc1 ZINC000016688487 556626418 /nfs/dbraw/zinc/62/64/18/556626418.db2.gz PCBKMBMVSAPPBH-GOSISDBHSA-N 0 3 438.337 4.835 40 0 IJABHN COc1ccccc1-c1ccc(CN2CCC[C@H]([C@@H](NC(C)=O)c3nccs3)C2)cc1 ZINC000019020990 556693632 /nfs/dbraw/zinc/69/36/32/556693632.db2.gz QLGIEBAFAJBLPT-XUZZJYLKSA-N 0 3 435.593 4.908 40 0 IJABHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4ccc(Cl)cc4)C(=O)[C@@]32C)cc1 ZINC000013583757 556699603 /nfs/dbraw/zinc/69/96/03/556699603.db2.gz FGXUFWKNTABFFK-TZBSWOFLSA-N 0 3 448.906 4.790 40 0 IJABHN C[C@H]1CCCCN1CCNC(=O)C1(Cc2cccc(-c3ccc(F)cc3)c2)CCOCC1 ZINC000257229297 556708926 /nfs/dbraw/zinc/70/89/26/556708926.db2.gz FXNWDTIDERCVJW-NRFANRHFSA-N 0 3 438.587 4.823 40 0 IJABHN Cc1cc2cc(CN(CCN(C)C)C(=S)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1C ZINC000000880665 556732627 /nfs/dbraw/zinc/73/26/27/556732627.db2.gz UFJQMPHVQXMKEO-UHFFFAOYSA-N 0 3 443.016 4.559 40 0 IJABHN FC(F)(F)c1cc(-c2cccs2)nc2cc([C@H]3CCN(Cc4ccncc4)C3)nn21 ZINC000019344234 556742083 /nfs/dbraw/zinc/74/20/83/556742083.db2.gz OJBRWNKSVQAHEX-HNNXBMFYSA-N 0 3 429.471 4.861 40 0 IJABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1cc(F)ccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000019374117 556750721 /nfs/dbraw/zinc/75/07/21/556750721.db2.gz IBBIIRIHQGVBQY-DQEYMECFSA-N 0 3 433.523 4.877 40 0 IJABHN COc1ccc2c(c1)c(CN1CCC(NC(C)=O)(c3ccccc3F)CC1)cn2C(C)C ZINC000019454788 556764977 /nfs/dbraw/zinc/76/49/77/556764977.db2.gz MCWKEHZSDDSZNC-UHFFFAOYSA-N 0 3 437.559 4.997 40 0 IJABHN C[C@@H]1Cc2cc(CN3CCC([C@@H](NC(=O)c4cccs4)c4ccccn4)CC3)ccc2O1 ZINC000019498177 556770569 /nfs/dbraw/zinc/77/05/69/556770569.db2.gz USYBJAWRWPWPSO-IQGLISFBSA-N 0 3 447.604 4.850 40 0 IJABHN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2ccc(OC)c(CO)c2)C1 ZINC000019522014 556778924 /nfs/dbraw/zinc/77/89/24/556778924.db2.gz JUSLJYKMPXBNHA-HNNXBMFYSA-N 0 3 449.473 4.685 40 0 IJABHN CCN1CCC[C@@H]1CN(Cc1cc2ccc(C)c(C)c2[nH]c1=O)C(=O)Nc1ccccc1 ZINC000001371107 556783820 /nfs/dbraw/zinc/78/38/20/556783820.db2.gz GIKNDLOZCXRWCS-HSZRJFAPSA-N 0 3 432.568 4.663 40 0 IJABHN COc1cccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1OC ZINC000019568907 556808931 /nfs/dbraw/zinc/80/89/31/556808931.db2.gz ZWLQZTTUAMQSDP-CQSZACIVSA-N 0 3 435.446 4.947 40 0 IJABHN COc1ccc(CN2CCC(c3noc4nc(C)cc(C(F)(F)F)c43)CC2)cc1OC ZINC000019569119 556809375 /nfs/dbraw/zinc/80/93/75/556809375.db2.gz OVDDNIDIQSLMOM-UHFFFAOYSA-N 0 3 435.446 4.947 40 0 IJABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761752 556905308 /nfs/dbraw/zinc/90/53/08/556905308.db2.gz LGUXFZCFSXMHDW-FQEVSTJZSA-N 0 3 433.600 4.757 40 0 IJABHN CC(C)(C)c1n[nH]cc1CN1CCC[C@@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330519 556906177 /nfs/dbraw/zinc/90/61/77/556906177.db2.gz VYSXRRGDFPSZTF-XXBNENTESA-N 0 3 449.574 4.625 40 0 IJABHN Cc1ccc2n[nH]c(C(=O)N3CCC[C@H]3c3cc(Nc4ccc(F)cn4)cc(C)n3)c2c1 ZINC000072372753 556944169 /nfs/dbraw/zinc/94/41/69/556944169.db2.gz QYRVSFRGEBVJEH-NRFANRHFSA-N 0 3 430.487 4.830 40 0 IJABHN COCCn1c(C)c(CN2CCC[C@H]2c2cccc(Nc3ncccn3)n2)c2ccccc21 ZINC000072375780 556952883 /nfs/dbraw/zinc/95/28/83/556952883.db2.gz CXBXDJWBTQLUTE-DEOSSOPVSA-N 0 3 442.567 4.862 40 0 IJABHN S=C(Nc1ccccc1)N(C[C@@H]1NCCc2ccccc21)C(=S)Nc1ccccc1 ZINC000024717076 557160758 /nfs/dbraw/zinc/16/07/58/557160758.db2.gz LUIPAYGZPOPPIA-QFIPXVFZSA-N 0 3 432.618 4.969 40 0 IJABHN COc1ccc(CN2CCC3(CC2)C[C@@H](CC(=O)NCC(C)C)c2ccccc2O3)cc1 ZINC000096053520 557166865 /nfs/dbraw/zinc/16/68/65/557166865.db2.gz RQJAPPBEIGJIHE-JOCHJYFZSA-N 0 3 436.596 4.758 40 0 IJABHN COC1CCC(Cc2ccnc(-c3cccc(C)c3C)c2)(C(=O)NC2CCN(C)CC2)CC1 ZINC000585263087 557203695 /nfs/dbraw/zinc/20/36/95/557203695.db2.gz JMCUIKQQLSONFD-UHFFFAOYSA-N 0 3 449.639 4.694 40 0 IJABHN O[C@]1(COc2ccc(F)c(Cl)c2)COCCN([C@H]2CC[C@H](c3ccccc3)CC2)C1 ZINC000585284337 557224082 /nfs/dbraw/zinc/22/40/82/557224082.db2.gz XAGFDKXYESYMJV-SKPFHBQLSA-N 0 3 433.951 4.648 40 0 IJABHN C[C@@H](NC(=O)c1ccc(CN2CCc3ccccc3C2)cc1)c1ccc2c(c1)OCCO2 ZINC000222656442 557369387 /nfs/dbraw/zinc/36/93/87/557369387.db2.gz JAKGMNLQPZPHFG-LJQANCHMSA-N 0 3 428.532 4.507 40 0 IJABHN C[C@@H]1CCCCN1C[C@@]1(C)COc2c(Br)cc(Br)cc2C1=O ZINC000016608973 557474943 /nfs/dbraw/zinc/47/49/43/557474943.db2.gz LPOZMPDPRTXQTO-DIFFPNOSSA-N 0 3 431.168 4.667 40 0 IJABHN CCOc1c(Br)cc(Br)cc1CNCCc1ccc(OC)cc1 ZINC000016688076 557475132 /nfs/dbraw/zinc/47/51/32/557475132.db2.gz KSWHAAPZDABTNF-UHFFFAOYSA-N 0 3 443.179 4.951 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@H](Cc2ccc3ccoc3c2)C1 ZINC000257237457 568682536 /nfs/dbraw/zinc/68/25/36/568682536.db2.gz HGOFCZLYRYZGCI-JOCHJYFZSA-N 0 3 432.564 4.750 40 0 IJABHN COc1ccc(CN(C)C)cc1[C@H]1OCC[C@@]23C[C@@H](C[C@H]12)C(C)(C)[C@@H]3NC(=O)CC(C)C ZINC000257267147 568696433 /nfs/dbraw/zinc/69/64/33/568696433.db2.gz MGDOHVUVAYDHOL-WMZCSSNRSA-N 0 3 442.644 4.802 40 0 IJABHN Cc1cccc(Nc2cncc(C3CCN(Cc4cn(C)c5ccc(F)cc45)CC3)n2)n1 ZINC000257296566 568709883 /nfs/dbraw/zinc/70/98/83/568709883.db2.gz RDIZPZFACCVAGY-UHFFFAOYSA-N 0 3 430.531 4.934 40 0 IJABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)COc4ccccc4OC)C3)c2)cc1 ZINC000257307865 568714700 /nfs/dbraw/zinc/71/47/00/568714700.db2.gz TUKZFYKGOYCOEX-LJQANCHMSA-N 0 3 447.535 4.546 40 0 IJABHN CCOc1ccc(CN2CCC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)cc1CO ZINC000257323329 568721727 /nfs/dbraw/zinc/72/17/27/568721727.db2.gz WJSFLGLHUGIOFO-IBGZPJMESA-N 0 3 438.597 4.861 40 0 IJABHN COc1cc(CCC(=O)N2CCC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)on1 ZINC000257344920 568730894 /nfs/dbraw/zinc/73/08/94/568730894.db2.gz ZZFWAJFJJWHKQB-QGZVFWFLSA-N 0 3 438.503 4.608 40 0 IJABHN Cc1nc([C@@H]2CCCN(Cc3cccc(-c4ccc(F)cc4)c3)C2)ncc1C(=O)N(C)C ZINC000019763398 569238049 /nfs/dbraw/zinc/23/80/49/569238049.db2.gz RMAGXIVUHGKFLB-JOCHJYFZSA-N 0 3 432.543 4.673 40 0 IJABHN COc1ccc2c(c1)[C@H](NC(=O)[C@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855474 569249322 /nfs/dbraw/zinc/24/93/22/569249322.db2.gz VAOLLWUNFIZNCR-PGRDOPGGSA-N 0 3 442.987 4.979 40 0 IJABHN COc1ccc2c(c1)[C@@H](NC(=O)[C@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855473 569249339 /nfs/dbraw/zinc/24/93/39/569249339.db2.gz VAOLLWUNFIZNCR-AVRDEDQJSA-N 0 3 442.987 4.979 40 0 IJABHN COc1ccc(NC(=O)c2cnc(C)nc2CC2CCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000019756741 569328538 /nfs/dbraw/zinc/32/85/38/569328538.db2.gz DFPIITKYIMCSID-UHFFFAOYSA-N 0 3 448.542 4.640 40 0 IJABHN COc1cc(CNC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)ccc1OC(C)C ZINC000044905318 522435111 /nfs/dbraw/zinc/43/51/11/522435111.db2.gz JOIQFRYNXDMVFH-UHFFFAOYSA-N 0 3 444.575 4.971 40 0 IJABHN CN(C)C(=O)C1(c2ccc(Cl)cc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000004214827 555976666 /nfs/dbraw/zinc/97/66/66/555976666.db2.gz WMVSIGOLIQMRHF-UHFFFAOYSA-N 0 3 430.951 4.564 40 0 in-man IJABHN COc1ccc(CCNCc2cccc(OC)c2OCc2ccc(F)cc2)cc1OC ZINC000008495376 556186605 /nfs/dbraw/zinc/18/66/05/556186605.db2.gz PLZNSDDJGJCKPW-UHFFFAOYSA-N 0 3 425.500 4.763 40 0 IJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2)c1 ZINC000039768701 556437337 /nfs/dbraw/zinc/43/73/37/556437337.db2.gz NRHYKJWIHQNFKA-UHFFFAOYSA-N 0 3 441.575 4.776 40 0 IJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccc(I)cc3C)CC2)c1 ZINC000039745279 556438389 /nfs/dbraw/zinc/43/83/89/556438389.db2.gz LHETUCGSEMOGKM-UHFFFAOYSA-N 0 3 448.348 4.759 40 0 IJABHN Cc1ccc(S[C@@]2(CN3CCCC3)COc3ccc(Br)cc3C2=O)cc1 ZINC000016310898 556599670 /nfs/dbraw/zinc/59/96/70/556599670.db2.gz ZQLOHFYPWRRIDA-NRFANRHFSA-N 0 3 432.383 4.960 40 0 IJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@@H]3C2=O)cc1 ZINC000101096376 556664730 /nfs/dbraw/zinc/66/47/30/556664730.db2.gz VVVMRLYSMZETSR-ZRBLBEILSA-N 0 3 448.906 4.790 40 0 IJABHN CC1(C(=O)N2CC[C@@H](Cc3ccc4ncccc4c3)C2)CCN(Cc2ccccc2)CC1 ZINC000257324901 556704890 /nfs/dbraw/zinc/70/48/90/556704890.db2.gz WQRPSKCNFMVVBS-DEOSSOPVSA-N 0 3 427.592 4.928 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@H](Cc2cncc3ccccc32)C1 ZINC000257327852 556705147 /nfs/dbraw/zinc/70/51/47/556705147.db2.gz XDAGNGXYSVCENT-JOCHJYFZSA-N 0 3 443.591 4.552 40 0 IJABHN c1cnc(Oc2cccc(CN3CCOC[C@@H](Cc4ccc5ncccc5c4)C3)c2)nc1 ZINC000257339035 556706826 /nfs/dbraw/zinc/70/68/26/556706826.db2.gz YZXRILIUYILXCQ-QFIPXVFZSA-N 0 3 426.520 4.508 40 0 IJABHN Cc1[nH]c2cc(C)ccc2c1[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2 ZINC000019219608 556714139 /nfs/dbraw/zinc/71/41/39/556714139.db2.gz YJFWRHJPFLVMIQ-VXKWHMMOSA-N 0 3 440.971 4.822 40 0 IJABHN COc1ccc(CN2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)cc1OC ZINC000019565012 556805945 /nfs/dbraw/zinc/80/59/45/556805945.db2.gz SZSWJSYXGVLFOP-UHFFFAOYSA-N 0 3 435.446 4.947 40 0 IJABHN COc1ccc2[nH]c(CN3CCC([C@H](NC(=O)C(C)(C)C)c4ccccn4)CC3)c(C)c2c1 ZINC000019565465 556806167 /nfs/dbraw/zinc/80/61/67/556806167.db2.gz YXWHROGIGQBZAV-VWLOTQADSA-N 0 3 448.611 4.996 40 0 IJABHN COc1cc(C)c(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1C ZINC000019567339 556807508 /nfs/dbraw/zinc/80/75/08/556807508.db2.gz NOBACTHCBNOOOD-HSZRJFAPSA-N 0 3 431.584 4.957 40 0 IJABHN Cc1[nH]c2ccc(F)cc2c1[C@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2 ZINC000019581409 556819288 /nfs/dbraw/zinc/81/92/88/556819288.db2.gz MQFGQROXBBIDHV-NHCUHLMSSA-N 0 3 444.934 4.653 40 0 IJABHN Cc1[nH]c2ccccc2c1[C@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2 ZINC000019581647 556819660 /nfs/dbraw/zinc/81/96/60/556819660.db2.gz PSRCSYBFNIBMGX-LEWJYISDSA-N 0 3 426.944 4.514 40 0 IJABHN COc1cccc2ccc(CN3CCC(c4cc(-c5ccc(N)nc5)cc(C)n4)CC3)nc21 ZINC000019692195 556848461 /nfs/dbraw/zinc/84/84/61/556848461.db2.gz NEGYWUYCXYMLIA-UHFFFAOYSA-N 0 3 439.563 4.971 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC[C@H]2c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)cc1 ZINC000019703647 556862171 /nfs/dbraw/zinc/86/21/71/556862171.db2.gz BQAKQUBXLPJSAC-DEOSSOPVSA-N 0 3 440.494 4.605 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC([C@H]3CCCCN(Cc4ccccc4)C3=O)CC2)cc1 ZINC000019745032 556891751 /nfs/dbraw/zinc/89/17/51/556891751.db2.gz ZAQXZJQFEZQBRZ-AREMUKBSSA-N 0 3 433.596 4.686 40 0 IJABHN Cc1cccc(CN2CCC3(C[C@@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)n1 ZINC000072327239 556903539 /nfs/dbraw/zinc/90/35/39/556903539.db2.gz BRWYRFQOUCHKGW-VWLOTQADSA-N 0 3 434.971 4.910 40 0 IJABHN Cc1nn(C(C)C)c(C)c1CN1CC[C@@H](c2cc(C(=O)NC(C)C)c3ccccc3n2)C1 ZINC000019761750 556905360 /nfs/dbraw/zinc/90/53/60/556905360.db2.gz LGUXFZCFSXMHDW-HXUWFJFHSA-N 0 3 433.600 4.757 40 0 IJABHN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)c1 ZINC000072330504 556906222 /nfs/dbraw/zinc/90/62/22/556906222.db2.gz BVIJHVMBGZKGKJ-OFVILXPXSA-N 0 3 433.527 4.613 40 0 IJABHN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc1 ZINC000072330506 556906230 /nfs/dbraw/zinc/90/62/30/556906230.db2.gz JWGROBAGJQJLRC-OFVILXPXSA-N 0 3 433.527 4.613 40 0 IJABHN CNc1ncccc1CN1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359814 556932828 /nfs/dbraw/zinc/93/28/28/556932828.db2.gz VGJSBKXDNVLWNU-KRWDZBQOSA-N 0 3 427.474 4.979 40 0 IJABHN COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ccccn1 ZINC000072380083 556957657 /nfs/dbraw/zinc/95/76/57/556957657.db2.gz ZEVNJLKQRCVQTP-FQEVSTJZSA-N 0 3 437.609 4.660 40 0 IJABHN CC(=O)NC1(c2ccccc2F)CCN(Cc2c3cccnc3[nH]c2C2CCCC2)CC1 ZINC000072393716 556965029 /nfs/dbraw/zinc/96/50/29/556965029.db2.gz NKHYOZNVEXTIEK-UHFFFAOYSA-N 0 3 434.559 4.987 40 0 IJABHN COc1ccc2nc(CN3CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2c1 ZINC000072398596 556970415 /nfs/dbraw/zinc/97/04/15/556970415.db2.gz GJFHNYWRROEXLQ-NLFFAJNJSA-N 0 3 446.595 4.754 40 0 IJABHN COCCOc1ccc(C(=O)N2CC[C@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)cc1 ZINC000585260815 557193449 /nfs/dbraw/zinc/19/34/49/557193449.db2.gz GFVHIBKGWAYAOX-FQEVSTJZSA-N 0 3 449.526 4.928 40 0 IJABHN COC1(COc2ccc(C)cc2C)CCN(Cc2cccc(OCCn3ccnc3)c2)CC1 ZINC000585271513 557213506 /nfs/dbraw/zinc/21/35/06/557213506.db2.gz IEVSJXUYIGVYOP-UHFFFAOYSA-N 0 3 449.595 4.639 40 0 IJABHN CN1CCC(Oc2ccc(NC(=O)C3CCN(Cc4cccc(Cl)c4)CC3)cc2)CC1 ZINC000219413185 557243525 /nfs/dbraw/zinc/24/35/25/557243525.db2.gz YQHPPDNQPIYMFE-UHFFFAOYSA-N 0 3 442.003 4.664 40 0 IJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)c(F)c4)[C@H]3C2=O)c(C)c1 ZINC000101223319 557280256 /nfs/dbraw/zinc/28/02/56/557280256.db2.gz MJRFWFVTWDACHE-VJBWXMMDSA-N 0 3 434.442 4.633 40 0 IJABHN CC(C)(C)OC(=O)N1CCN(c2ccc([C@H]3CCCCN3Cc3ccccc3)cn2)CC1 ZINC000072216429 557343010 /nfs/dbraw/zinc/34/30/10/557343010.db2.gz OJWANKZRSCRGDO-HSZRJFAPSA-N 0 3 436.600 4.866 40 0 IJABHN Cc1ccc(Sc2ccc([C@H]3[C@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1 ZINC000223263104 557452588 /nfs/dbraw/zinc/45/25/88/557452588.db2.gz UDGBTSORLGULBA-VXKWHMMOSA-N 0 3 438.622 4.668 40 0 IJABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223282092 557455481 /nfs/dbraw/zinc/45/54/81/557455481.db2.gz JENICTSPHPCPNX-JWQCQUIFSA-N 0 3 441.604 4.560 40 0 IJABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223281992 557455578 /nfs/dbraw/zinc/45/55/78/557455578.db2.gz JENICTSPHPCPNX-RPBOFIJWSA-N 0 3 441.604 4.560 40 0 IJABHN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000223887337 557525343 /nfs/dbraw/zinc/52/53/43/557525343.db2.gz GLCNJIUVHQGSAF-BJKOFHAPSA-N 0 3 440.576 4.510 40 0 IJABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)Cc4ccccc4OC)C3)c2)c1 ZINC000257213591 568671444 /nfs/dbraw/zinc/67/14/44/568671444.db2.gz CIFZGIQNORAVAZ-HXUWFJFHSA-N 0 3 431.536 4.709 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCC[C@@H]1c1ccnc(-c2ccccn2)n1 ZINC000257248512 568687885 /nfs/dbraw/zinc/68/78/85/568687885.db2.gz JDYXMZFVKSYCBI-XMMPIXPASA-N 0 3 427.552 4.502 40 0 IJABHN Cc1cc(C)n(CCCC(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)n1 ZINC000257278603 568701750 /nfs/dbraw/zinc/70/17/50/568701750.db2.gz OCWSABYKZSKDIN-HXUWFJFHSA-N 0 3 435.547 4.882 40 0 IJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000257296732 568709924 /nfs/dbraw/zinc/70/99/24/568709924.db2.gz REEBEHFULKMXLU-GOSISDBHSA-N 0 3 433.483 4.674 40 0 IJABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4cnc(N(C)C)nc4C)C3)c2)cc1 ZINC000257311381 568715957 /nfs/dbraw/zinc/71/59/57/568715957.db2.gz UJERSYJWNWEGHR-HXUWFJFHSA-N 0 3 444.583 4.626 40 0 IJABHN Cc1cnc2c(C(=O)N3CCC[C@H](c4cc(Nc5cccc(F)c5)cc(C)n4)C3)cnn2c1 ZINC000257315297 568717687 /nfs/dbraw/zinc/71/76/87/568717687.db2.gz VASDDGAICLJENS-SFHVURJKSA-N 0 3 444.514 4.644 40 0 IJABHN Cc1ccc(CN2CCC(C(=O)N3CCN(c4cc(Cl)ccc4C)CC3)CC2)cc1 ZINC000009063145 569219745 /nfs/dbraw/zinc/21/97/45/569219745.db2.gz IUJGZRXCVQQEEI-UHFFFAOYSA-N 0 3 426.004 4.518 40 0 IJABHN CNC(=O)C1(Cc2ccccc2-c2ccncc2)CCN(Cc2ccccc2Cl)CC1 ZINC000019700196 569231190 /nfs/dbraw/zinc/23/11/90/569231190.db2.gz STDONUHLOZTITN-UHFFFAOYSA-N 0 3 433.983 4.973 40 0 IJABHN COc1c(C)cccc1CN1CC[C@@](Cc2cc(C3CCCCC3)no2)(C(=O)N(C)C)C1 ZINC000019739239 569236636 /nfs/dbraw/zinc/23/66/36/569236636.db2.gz RYTKHLJGMNEMON-SANMLTNESA-N 0 3 439.600 4.562 40 0 IJABHN Fc1ccc(OCCc2cc([C@H]3CCCN3Cc3ccc4nccnc4c3)n[nH]2)cc1F ZINC000019695868 569326721 /nfs/dbraw/zinc/32/67/21/569326721.db2.gz RMKDOABBZQPXSX-XMMPIXPASA-N 0 3 435.478 4.590 40 0 IJABHN CCN(Cc1cnn(-c2ccc(C)cc2)c1)[C@@H]1CCO[C@H](c2ccc(C(=O)N(C)C)cc2)C1 ZINC000019712701 569327682 /nfs/dbraw/zinc/32/76/82/569327682.db2.gz DHCDXFSVKOHYGR-FTJBHMTQSA-N 0 3 446.595 4.625 40 0 IJABHN Cc1noc(C)c1Cn1cc2c3c1cccc3[C@H](CC(C)C)N[C@H](C(=O)NC1CCCC1)C2 ZINC000049171799 291393136 /nfs/dbraw/zinc/39/31/36/291393136.db2.gz OHALZNGZWKSEMM-ZEQRLZLVSA-N 0 3 448.611 4.955 40 0 biogenic,in-vitro IJABHN CC(C)Oc1ccc(CN2CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC2)cc1 ZINC000012158784 519779111 /nfs/dbraw/zinc/77/91/11/519779111.db2.gz HZCPJDRYPQHGHD-UHFFFAOYSA-N 0 3 447.501 4.821 40 0 IJABHN O=C(CC1C(=O)N(CCc2c[nH]c3ccccc23)c2nc3ccccc3n21)Nc1ccccc1 ZINC000021005859 527150994 /nfs/dbraw/zinc/15/09/94/527150994.db2.gz DIECPLUZARGQBD-DEOSSOPVSA-N 0 3 449.514 4.677 40 0 IJABHN CCOC(=O)c1c(NC(=O)C2CCN(Cc3ccccc3)CC2)sc2c1CCCC2 ZINC000039768065 556437415 /nfs/dbraw/zinc/43/74/15/556437415.db2.gz ZKEISDUMTQPDOP-UHFFFAOYSA-N 0 3 426.582 4.654 40 0 IJABHN CC(C)COc1ccc(-c2cc(C(=O)NC[C@@H](c3ccccc3)N3CCCC3)no2)cc1 ZINC000028296125 556451373 /nfs/dbraw/zinc/45/13/73/556451373.db2.gz ADPMQQCTOMFZQZ-DEOSSOPVSA-N 0 3 433.552 4.943 40 0 IJABHN Cc1cc2c(cc1Br)C(=O)[C@](CN1CCCC1)(Sc1ccccc1)CO2 ZINC000015229080 556512769 /nfs/dbraw/zinc/51/27/69/556512769.db2.gz ONFHZDXFGAFYSX-OAQYLSRUSA-N 0 3 432.383 4.960 40 0 IJABHN CC(C)(C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000030942500 556516334 /nfs/dbraw/zinc/51/63/34/556516334.db2.gz ULDYQHIUMJDRLN-GOSISDBHSA-N 0 3 427.976 4.719 40 0 IJABHN O=C(NCCSCc1c(F)cccc1Cl)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000038853334 556625361 /nfs/dbraw/zinc/62/53/61/556625361.db2.gz MILDUQJUPZVTOR-QGZVFWFLSA-N 0 3 438.971 4.880 40 0 IJABHN O=C([C@H]1CCCN(Cc2ccccc2Cl)C1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000038857265 556626125 /nfs/dbraw/zinc/62/61/25/556626125.db2.gz VFKSGVWILBPPRT-IBGZPJMESA-N 0 3 432.395 4.554 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccccc3)[C@H]2C(=O)N1c1ccc(Br)cc1 ZINC000100982673 556634065 /nfs/dbraw/zinc/63/40/65/556634065.db2.gz YXEPNMZUECRAEI-HKBOAZHASA-N 0 3 449.304 4.500 40 0 IJABHN COc1ccc2c(c1)[C@@H](NC(=O)[C@@H]1CCCN(Cc3ccccc3Cl)C1)CC(C)(C)O2 ZINC000044855471 556671672 /nfs/dbraw/zinc/67/16/72/556671672.db2.gz VAOLLWUNFIZNCR-GCJKJVERSA-N 0 3 442.987 4.979 40 0 IJABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000019020568 556693694 /nfs/dbraw/zinc/69/36/94/556693694.db2.gz WMGDKJUIALAPJY-HHHXNRCGSA-N 0 3 447.554 4.889 40 0 IJABHN COc1cccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2ccsc2)CN3C(=O)C(C)(C)C)c1OC ZINC000019081641 556696363 /nfs/dbraw/zinc/69/63/63/556696363.db2.gz JORJWHCAZNVYIS-NJDAHSKKSA-N 0 3 442.625 4.628 40 0 IJABHN Cc1[nH]c2ccc(F)cc2c1[C@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(C)c(C)cc1O2 ZINC000019125107 556702823 /nfs/dbraw/zinc/70/28/23/556702823.db2.gz IGEDSXKEPFPCRT-XZOQPEGZSA-N 0 3 438.543 4.616 40 0 IJABHN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)C3ON2c2ccccc2)c1 ZINC000013658988 556708036 /nfs/dbraw/zinc/70/80/36/556708036.db2.gz UXQUZXKOZPXCFG-VABKMULXSA-N 0 3 448.906 4.708 40 0 IJABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(C)c2)C1 ZINC000019234968 556719417 /nfs/dbraw/zinc/71/94/17/556719417.db2.gz BSULTUGJESCVLW-NVQXNPDNSA-N 0 3 429.564 4.782 40 0 IJABHN O=C(Nc1ccc([C@H](O)CN2CCC3(C=Cc4cc(Cl)ccc4O3)CC2)cc1)C1CC1 ZINC000019332359 556737506 /nfs/dbraw/zinc/73/75/06/556737506.db2.gz APNRJAPGLKQJLU-JOCHJYFZSA-N 0 3 438.955 4.662 40 0 IJABHN CC(C)n1cc(CN2C[C@@H](c3cccnc3)[C@]3(C2)CCCCC(=O)N3)c2ccc(F)cc21 ZINC000019454777 556765034 /nfs/dbraw/zinc/76/50/34/556765034.db2.gz GSUKSLRSMRUDGM-JYFHCDHNSA-N 0 3 434.559 4.785 40 0 IJABHN CCN1CCC[C@H]1CN(Cc1cc2ccc(C)cc2[nH]c1=O)C(=S)Nc1cccc(C)c1 ZINC000001325917 556771662 /nfs/dbraw/zinc/77/16/62/556771662.db2.gz NRXHZPGMTFOIGB-QHCPKHFHSA-N 0 3 448.636 4.828 40 0 IJABHN CCn1cc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c2ccccc21 ZINC000019524759 556782115 /nfs/dbraw/zinc/78/21/15/556782115.db2.gz KEPPBOCTQJOAGO-DQEYMECFSA-N 0 3 434.580 4.662 40 0 IJABHN CCn1cc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019524763 556782145 /nfs/dbraw/zinc/78/21/45/556782145.db2.gz UCMXEHYGSBTWKO-GOTSBHOMSA-N 0 3 440.971 4.699 40 0 IJABHN COc1ccccc1CN1CCC([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)CC1 ZINC000019570111 556810105 /nfs/dbraw/zinc/81/01/05/556810105.db2.gz VJEFMTMLIVUOOR-VWLOTQADSA-N 0 3 433.527 4.613 40 0 IJABHN COc1ccc(CN2CCC[C@@](O)(c3ccc(F)cc3)CC2)cc1Cn1nc(C)cc1C ZINC000019574430 556814480 /nfs/dbraw/zinc/81/44/80/556814480.db2.gz JCIMSGXIHQPVOI-SANMLTNESA-N 0 3 437.559 4.570 40 0 IJABHN Fc1ccc(-c2cc3nc4c(c(N5CCN(C6CCCCC6)CC5)n3n2)CCCC4)cc1 ZINC000004489204 556822194 /nfs/dbraw/zinc/82/21/94/556822194.db2.gz QEFVKPPCLIVLHN-UHFFFAOYSA-N 0 3 433.575 4.869 40 0 IJABHN COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4cncnc4)cc(C)n3)CC1)CO2 ZINC000019692148 556848240 /nfs/dbraw/zinc/84/82/40/556848240.db2.gz MHTJLGJPVZULDT-UHFFFAOYSA-N 0 3 428.536 4.511 40 0 IJABHN COc1ccc(CN2CCC3(C[C@@]4(CO3)Nc3cc(OC)ccc3-n3cccc34)CC2)cc1 ZINC000072327203 556903682 /nfs/dbraw/zinc/90/36/82/556903682.db2.gz NHBQVFVOYWJUFL-MHZLTWQESA-N 0 3 445.563 4.570 40 0 IJABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=N[C@@H]1c1ccccc1 ZINC000408988464 556910573 /nfs/dbraw/zinc/91/05/73/556910573.db2.gz IAQGMJZQINWIOG-JOCHJYFZSA-N 0 3 437.565 4.513 40 0 IJABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2C)=N[C@@H]1c1ccccc1 ZINC000408988091 556910675 /nfs/dbraw/zinc/91/06/75/556910675.db2.gz GWEAZYWTWPXIKI-JOCHJYFZSA-N 0 3 437.565 4.513 40 0 IJABHN Cc1cc2nc([C@H]3CCCN(Cc4cccc5cccnc54)C3)cc(C(F)(F)F)n2n1 ZINC000072340877 556912852 /nfs/dbraw/zinc/91/28/52/556912852.db2.gz AQYACIRDNWGLNP-KRWDZBQOSA-N 0 3 425.458 4.984 40 0 IJABHN COCc1cc(CN2CCC[C@@H](c3ccc(Nc4cnccn4)cn3)C2)ccc1OC(C)C ZINC000072353475 556926909 /nfs/dbraw/zinc/92/69/09/556926909.db2.gz ZFUXQASAYAWBLN-OAQYLSRUSA-N 0 3 447.583 4.928 40 0 IJABHN Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN(Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000072353748 556928094 /nfs/dbraw/zinc/92/80/94/556928094.db2.gz URBWSSYCZGMNDI-LJQANCHMSA-N 0 3 429.568 4.522 40 0 IJABHN O=C(c1ccc(CN2CCc3ccccc3C2)cc1)N1CCN(c2cccc(Cl)c2)CC1 ZINC000409136427 556969576 /nfs/dbraw/zinc/96/95/76/556969576.db2.gz YXSNURMCMFAENY-UHFFFAOYSA-N 0 3 445.994 4.861 40 0 IJABHN COc1cccc2ccc(CN3CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)nc21 ZINC000072398598 556970266 /nfs/dbraw/zinc/97/02/66/556970266.db2.gz UKJFZHIOZWBICV-YKSBVNFPSA-N 0 3 446.595 4.754 40 0 IJABHN CC1CCN(Cc2ccc(C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)cc2)CC1 ZINC000219236827 557232572 /nfs/dbraw/zinc/23/25/72/557232572.db2.gz AJTLNHBJNUUUQS-UHFFFAOYSA-N 0 3 438.959 4.894 40 0 IJABHN Cc1cccc(CN2CCC(C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)CC2)c1 ZINC000219407611 557243073 /nfs/dbraw/zinc/24/30/73/557243073.db2.gz SCYINMAZUNCCAV-UHFFFAOYSA-N 0 3 438.959 4.569 40 0 IJABHN COc1ccccc1CN1CCC[C@@](Cc2cc(-c3ccc(C)cc3)no2)(C(=O)N(C)C)C1 ZINC000057775191 557264999 /nfs/dbraw/zinc/26/49/99/557264999.db2.gz XYPSIBIADZQHQS-MHZLTWQESA-N 0 3 447.579 4.572 40 0 IJABHN CCN(Cc1nc(-c2cccs2)no1)C(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222597247 557358887 /nfs/dbraw/zinc/35/88/87/557358887.db2.gz HWHMXYAFPHCUHF-QGZVFWFLSA-N 0 3 444.988 4.712 40 0 IJABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1cccc(OC)c1OC ZINC000072370595 557388759 /nfs/dbraw/zinc/38/87/59/557388759.db2.gz KTYXIIFEVQIVBM-SFHVURJKSA-N 0 3 438.593 4.875 40 0 IJABHN Cc1c(Cl)cccc1-c1ccc([C@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223286207 557456086 /nfs/dbraw/zinc/45/60/86/557456086.db2.gz COBRVDSBZQBLTI-YADHBBJMSA-N 0 3 441.000 4.838 40 0 IJABHN Cc1ccc(-c2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1Cl ZINC000223287969 557456324 /nfs/dbraw/zinc/45/63/24/557456324.db2.gz CVNGFBDETFPBRX-YADHBBJMSA-N 0 3 441.000 4.838 40 0 IJABHN Cc1cc(OCC(=O)NCc2ccccc2CN2CCCCC2)cc(C)c1Br ZINC000224830741 557656431 /nfs/dbraw/zinc/65/64/31/557656431.db2.gz HIBUTSOKMMRGAX-UHFFFAOYSA-N 0 3 445.401 4.747 40 0 IJABHN O=C(Nc1ccc(OCCN2CCCC2)cc1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000225579583 557746355 /nfs/dbraw/zinc/74/63/55/557746355.db2.gz JBGOXVHEBLGUKI-UHFFFAOYSA-N 0 3 428.960 4.502 40 0 IJABHN FC(F)(F)Oc1ccc(CNC[C@H]2Cn3c(-c4cccc(Cl)c4)cnc3CO2)cc1 ZINC000096269371 560054007 /nfs/dbraw/zinc/05/40/07/560054007.db2.gz XXJAFAMNHHPPIC-SFHVURJKSA-N 0 3 437.849 4.791 40 0 biogenic,in-vitro IJABHN CCOc1ccc(CN2CCC[C@@H]([C@H](NC(=O)CC(C)C)c3ccccn3)C2)cc1OC ZINC000057774059 568625973 /nfs/dbraw/zinc/62/59/73/568625973.db2.gz LXHUPULAFYZTFM-RLWLMLJZSA-N 0 3 439.600 4.605 40 0 IJABHN COCC(=O)N1CCC2(CN(Cc3ccc(Cl)cc3Cl)C[C@@H]2c2ccccc2)CC1 ZINC000257201253 568665842 /nfs/dbraw/zinc/66/58/42/568665842.db2.gz AGWXKOKYZXWTCX-OAQYLSRUSA-N 0 3 447.406 4.848 40 0 IJABHN COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC45CC6CC(CC(C6)C4)C5)on3)C2)c1 ZINC000257237749 568682728 /nfs/dbraw/zinc/68/27/28/568682728.db2.gz HHZCIYPUPFOWOL-IARNNAAMSA-N 0 3 449.595 4.761 40 0 IJABHN O=C1CCCC[C@]2(CN(Cc3ccccc3OCc3cccnc3)C[C@H]2c2ccccc2)N1 ZINC000257262110 568694177 /nfs/dbraw/zinc/69/41/77/568694177.db2.gz LKCBKJXSMLOHOB-LBNVMWSVSA-N 0 3 441.575 4.689 40 0 IJABHN Cc1cc(Nc2ccc(F)cc2)cc([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000257296733 568709766 /nfs/dbraw/zinc/70/97/66/568709766.db2.gz REEBEHFULKMXLU-SFHVURJKSA-N 0 3 433.483 4.674 40 0 IJABHN COc1cccc(CN2CC[C@@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1OC ZINC000257305176 568713527 /nfs/dbraw/zinc/71/35/27/568713527.db2.gz SOSKRYTWKCSMSB-MRXNPFEDSA-N 0 3 433.430 4.762 40 0 IJABHN COc1ccc(CC(=O)N2CC[C@H](c3cc(Nc4ccc(F)cc4)cc(C)n3)C2)cc1OC ZINC000257323040 568721241 /nfs/dbraw/zinc/72/12/41/568721241.db2.gz WINDNSGFUFZCTA-IBGZPJMESA-N 0 3 449.526 4.849 40 0 IJABHN CN1CCC(C(=O)N2CCC3(CC2)CO[C@@H]2c4cc(Cl)ccc4OC(C)(C)[C@H]2C3)CC1 ZINC000257342411 568729623 /nfs/dbraw/zinc/72/96/23/568729623.db2.gz ZOLYDXHCMNZXJY-RBBKRZOGSA-N 0 3 447.019 4.539 40 0 IJABHN Cc1cc2c(cc1CN1CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C1)OCO2 ZINC000019125563 569226106 /nfs/dbraw/zinc/22/61/06/569226106.db2.gz IZPLPUKKDKKGOC-HOYKHHGWSA-N 0 3 449.576 4.564 40 0 IJABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2sccc2C)C1 ZINC000019238619 569226368 /nfs/dbraw/zinc/22/63/68/569226368.db2.gz SVWNNNQRULKZAG-NTKDMRAZSA-N 0 3 435.593 4.843 40 0 IJABHN COc1cccc(CN2CCC(c3ncc(C(=O)Nc4ccc(F)cc4)c(C)n3)CC2)c1 ZINC000019763889 569238185 /nfs/dbraw/zinc/23/81/85/569238185.db2.gz PQKPHETXGXLPSQ-UHFFFAOYSA-N 0 3 434.515 4.565 40 0 IJABHN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044855616 569249305 /nfs/dbraw/zinc/24/93/05/569249305.db2.gz XJPNKAZWDHNSLG-PGRDOPGGSA-N 0 3 442.987 4.979 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@H](c3ccccc3)[C@@H]2C(=O)N1c1ccc(Br)cc1 ZINC000009428312 569296340 /nfs/dbraw/zinc/29/63/40/569296340.db2.gz YXEPNMZUECRAEI-HBMCJLEFSA-N 0 3 449.304 4.500 40 0 IJABHN Cc1nc([C@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019766292 569329019 /nfs/dbraw/zinc/32/90/19/569329019.db2.gz JSZHECSVDPHJOF-QHCPKHFHSA-N 0 3 439.563 4.576 40 0 IJABHN Cc1c(Cl)cccc1N1C(=O)C2ON(c3ccccc3)[C@H](c3ccc(F)cc3)[C@H]2C1=O ZINC000008739591 569472789 /nfs/dbraw/zinc/47/27/89/569472789.db2.gz UZHWSKWLWRXIMO-VSKRKVRLSA-N 0 3 436.870 4.839 40 0 IJABHN CC(=O)Nc1ccc([C@@H](O)CN2CCC3(C=Cc4cc(Cl)c(C)cc4O3)CC2)cc1 ZINC000012188048 519733474 /nfs/dbraw/zinc/73/34/74/519733474.db2.gz JWWPFHJGPWTLLR-QFIPXVFZSA-N 0 3 426.944 4.581 40 0 IJABHN CC(C)Oc1cccc(CN2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)c1 ZINC000012233806 519783050 /nfs/dbraw/zinc/78/30/50/519783050.db2.gz UHLDWNRDVREMKJ-UHFFFAOYSA-N 0 3 447.501 4.869 40 0 IJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccc(I)cc3C)CC2)cc1 ZINC000039744431 556438005 /nfs/dbraw/zinc/43/80/05/556438005.db2.gz IPZPMBZVFPTJJH-UHFFFAOYSA-N 0 3 448.348 4.759 40 0 IJABHN CC[C@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(OC)c1 ZINC000044856773 556672642 /nfs/dbraw/zinc/67/26/42/556672642.db2.gz UTHOPGUKPIFXRX-CTNGQTDRSA-N 0 3 430.976 4.837 40 0 IJABHN CC(C)(C)C(=O)N[C@@H](C[C@@H]1CCCCN1Cc1ccc2c(c1)OCCO2)c1ccccn1 ZINC000019081727 556696459 /nfs/dbraw/zinc/69/64/59/556696459.db2.gz WKRLUOBMVGYSDK-UNMCSNQZSA-N 0 3 437.584 4.501 40 0 IJABHN COc1cccc2ccc(CN3CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)nc21 ZINC000019081897 556696761 /nfs/dbraw/zinc/69/67/61/556696761.db2.gz UKJFZHIOZWBICV-HYBUGGRVSA-N 0 3 446.595 4.754 40 0 IJABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C([O-])=C3ON2c2ccc(Cl)cc2)cc1 ZINC000137673270 556697546 /nfs/dbraw/zinc/69/75/46/556697546.db2.gz ZTJMXKJXJKCFMB-RJGXRXQPSA-N 0 3 448.906 4.708 40 0 IJABHN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)C3ON2c2ccc(Cl)cc2)cc1 ZINC000137673270 556697550 /nfs/dbraw/zinc/69/75/50/556697550.db2.gz ZTJMXKJXJKCFMB-RJGXRXQPSA-N 0 3 448.906 4.708 40 0 IJABHN CC(C)(C)c1n[nH]cc1CN1CCC([C@@H](NC(=O)CC2CCCC2)c2ccccn2)CC1 ZINC000019083483 556697903 /nfs/dbraw/zinc/69/79/03/556697903.db2.gz QTQAUOZZAIJVBB-XMMPIXPASA-N 0 3 437.632 4.752 40 0 IJABHN Cc1noc(C)c1COc1ccc(CN(C)C[C@@H](O)Cn2c(C)c(C)c3ccccc32)cc1 ZINC000257331903 556705931 /nfs/dbraw/zinc/70/59/31/556705931.db2.gz XUTSSLLLSHVEBF-HSZRJFAPSA-N 0 3 447.579 4.935 40 0 IJABHN Cc1cc(C)cc(-c2cccc(CC3(C(=O)N[C@@H](C)CN4CCCC4)CCOCC3)c2)c1 ZINC000257295143 556716831 /nfs/dbraw/zinc/71/68/31/556716831.db2.gz QXEGKTAQOAVIHX-QHCPKHFHSA-N 0 3 434.624 4.910 40 0 IJABHN COc1ccc(-c2[nH]c3ncccc3c2CN2CCC(O)(c3ccc(F)cc3)CC2)cc1 ZINC000019557814 556799860 /nfs/dbraw/zinc/79/98/60/556799860.db2.gz VPJZQUZDQGROPD-UHFFFAOYSA-N 0 3 431.511 4.861 40 0 IJABHN COc1cc(C)c(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1C ZINC000019567342 556807582 /nfs/dbraw/zinc/80/75/82/556807582.db2.gz NOBACTHCBNOOOD-QHCPKHFHSA-N 0 3 431.584 4.957 40 0 IJABHN COc1ccc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(C)c1C ZINC000019577374 556815579 /nfs/dbraw/zinc/81/55/79/556815579.db2.gz SDTRXFRZKWCGBP-HSZRJFAPSA-N 0 3 431.584 4.957 40 0 IJABHN Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2 ZINC000019581639 556819700 /nfs/dbraw/zinc/81/97/00/556819700.db2.gz PSRCSYBFNIBMGX-RTWAWAEBSA-N 0 3 426.944 4.514 40 0 IJABHN COc1cccc2cc(CN3CCC(c4cc(N(C)C)nc(-c5cccnc5)n4)CC3)oc21 ZINC000019584473 556821993 /nfs/dbraw/zinc/82/19/93/556821993.db2.gz LUWYRGXMEQFMAR-UHFFFAOYSA-N 0 3 443.551 4.739 40 0 IJABHN COCC(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000019592993 556829161 /nfs/dbraw/zinc/82/91/61/556829161.db2.gz ARSCLKAEHBOKHS-HOFKKMOUSA-N 0 3 447.554 4.604 40 0 IJABHN Cn1cc(CN2CCC[C@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c2cc(F)ccc21 ZINC000019689289 556843917 /nfs/dbraw/zinc/84/39/17/556843917.db2.gz KXLFUVBSTWAQJE-NRFANRHFSA-N 0 3 442.538 4.858 40 0 IJABHN CCn1ncc(CN2CCC[C@H](c3nc(N(C)C)ncc3-c3cccc(Cl)c3)C2)c1C ZINC000019693958 556848929 /nfs/dbraw/zinc/84/89/29/556848929.db2.gz OYFHRTBQGFPTHL-IBGZPJMESA-N 0 3 439.007 4.767 40 0 IJABHN CNc1cc(C2CCN(Cc3ccc(-c4ccccc4)cc3)CC2)nc(CN(C)C(C)=O)n1 ZINC000019710103 556871953 /nfs/dbraw/zinc/87/19/53/556871953.db2.gz BHVJSWXTNOAQGP-UHFFFAOYSA-N 0 3 443.595 4.543 40 0 IJABHN Cc1cc2c(cc1CN1CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C1)OCO2 ZINC000072330434 556905562 /nfs/dbraw/zinc/90/55/62/556905562.db2.gz IZPLPUKKDKKGOC-UUOWRZLLSA-N 0 3 449.576 4.564 40 0 IJABHN Cc1cc(CN2CCC[C@@H]([C@H](NC(=O)c3cccc(F)c3)c3ccccn3)C2)cc(C)c1O ZINC000072330511 556906245 /nfs/dbraw/zinc/90/62/45/556906245.db2.gz ANWDYKFITUTCDM-RDGATRHJSA-N 0 3 447.554 4.926 40 0 IJABHN O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000072330557 556906730 /nfs/dbraw/zinc/90/67/30/556906730.db2.gz AOLNUQZENUMDSL-HOFKKMOUSA-N 0 3 431.555 4.923 40 0 IJABHN O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000072330556 556906744 /nfs/dbraw/zinc/90/67/44/556906744.db2.gz AOLNUQZENUMDSL-KCWPFWIISA-N 0 3 431.555 4.923 40 0 IJABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=N[C@H]1c1ccccc1 ZINC000408988073 556910659 /nfs/dbraw/zinc/91/06/59/556910659.db2.gz GUJMBKAPIXHXSN-QFIPXVFZSA-N 0 3 437.565 4.513 40 0 IJABHN Cc1cccc(CN2C(=O)C(CC(=O)Nc3ccc(F)c(F)c3)n3c4ccccc4nc32)c1 ZINC000019819444 556922533 /nfs/dbraw/zinc/92/25/33/556922533.db2.gz TVCSSWQJMOZQNB-QFIPXVFZSA-N 0 3 446.457 4.740 40 0 IJABHN Cc1cc(-c2cncnc2)cc([C@H]2CCCN(Cc3cc4ccccc4nc3N(C)C)C2)n1 ZINC000072353672 556927657 /nfs/dbraw/zinc/92/76/57/556927657.db2.gz OEEBMDGLRKSQCD-NRFANRHFSA-N 0 3 438.579 4.841 40 0 IJABHN COCCNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1cnc(C)s1 ZINC000072370506 556935090 /nfs/dbraw/zinc/93/50/90/556935090.db2.gz KCXZVBQPDHMVQT-KRWDZBQOSA-N 0 3 443.638 4.640 40 0 IJABHN COc1cccc(CN2CC=CC[C@@H](C3CCN(Cc4ccc5[nH]ccc5c4)CC3)C2=O)c1 ZINC000072380246 556958166 /nfs/dbraw/zinc/95/81/66/556958166.db2.gz JLSZEYDIXSMMON-SANMLTNESA-N 0 3 443.591 4.993 40 0 IJABHN CCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2ccncc2)CC1 ZINC000585166470 557128117 /nfs/dbraw/zinc/12/81/17/557128117.db2.gz PGMXPGKKYROLBB-UHFFFAOYSA-N 0 3 431.555 4.849 40 0 IJABHN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCCN1Cc1cccc2ncccc12 ZINC000585168854 557131422 /nfs/dbraw/zinc/13/14/22/557131422.db2.gz KHQGMXNFVVVCKZ-RUZDIDTESA-N 0 3 439.563 4.957 40 0 IJABHN CC(=O)OC[C@H](OC(C)=O)[C@H](Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1 ZINC000026897051 557250454 /nfs/dbraw/zinc/25/04/54/557250454.db2.gz HYKAASGBNDAOED-NSOVKSMOSA-N 0 3 445.559 4.795 40 0 IJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4C)[C@@H]3C2=O)cc1 ZINC000101239864 557294090 /nfs/dbraw/zinc/29/40/90/557294090.db2.gz ILHSREBFKREXTF-GVAUOCQISA-N 0 3 442.515 4.753 40 0 IJABHN Cc1cccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)n2)c1 ZINC000222596827 557358533 /nfs/dbraw/zinc/35/85/33/557358533.db2.gz BWFGYIJSJYMQRA-FQEVSTJZSA-N 0 3 438.959 4.569 40 0 IJABHN CCc1ccc(OCC(=O)NCc2ccccc2CN2CCCCC2)c(Br)c1 ZINC000224830867 557656362 /nfs/dbraw/zinc/65/63/62/557656362.db2.gz OKHFHGZOARMVLD-UHFFFAOYSA-N 0 3 445.401 4.693 40 0 IJABHN Cc1ccc2nc(C)cc(NCCNC(=S)Nc3ccc(Oc4ccccc4)nn3)c2c1 ZINC000225221631 557701676 /nfs/dbraw/zinc/70/16/76/557701676.db2.gz NSXPXGHRFWLPNB-UHFFFAOYSA-N 0 3 444.564 4.832 40 0 IJABHN CNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000257238951 568683522 /nfs/dbraw/zinc/68/35/22/568683522.db2.gz HNFNZWTXTAACNP-SFHVURJKSA-N 0 3 444.560 4.833 40 0 IJABHN Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN(Cc3ccccc3-c3ccccc3F)C2)n1 ZINC000257285936 568704716 /nfs/dbraw/zinc/70/47/16/568704716.db2.gz PJMACRBAGOWSJA-MHZLTWQESA-N 0 3 446.570 4.847 40 0 IJABHN Cc1cc(C(=O)N(C)C)nc([C@]2(C)CCCN(Cc3ccccc3-c3ccccc3F)C2)n1 ZINC000257285935 568704823 /nfs/dbraw/zinc/70/48/23/568704823.db2.gz PJMACRBAGOWSJA-HHHXNRCGSA-N 0 3 446.570 4.847 40 0 IJABHN CC1(C)Cc2cc(CN3CCC(c4ccc(-c5ccc(C(N)=O)cc5)cn4)CC3)ccc2O1 ZINC000257326095 568722855 /nfs/dbraw/zinc/72/28/55/568722855.db2.gz WVTWWTOMBVWPJD-UHFFFAOYSA-N 0 3 441.575 4.941 40 0 IJABHN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCN(C(=O)c3ccc4c(c3)OCCO4)C2)n1 ZINC000257341978 568729471 /nfs/dbraw/zinc/72/94/71/568729471.db2.gz ZMPMQERNGHEBQY-SFHVURJKSA-N 0 3 433.483 4.674 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@@H]([C@@H](NC(=O)Cc2ccccc2)c2ccccn2)C1 ZINC000019235949 569226138 /nfs/dbraw/zinc/22/61/38/569226138.db2.gz QXFYHGYGINJKEF-YIXXDRMTSA-N 0 3 443.591 4.711 40 0 IJABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2sccc2C)C1 ZINC000019238621 569226374 /nfs/dbraw/zinc/22/63/74/569226374.db2.gz SVWNNNQRULKZAG-YADARESESA-N 0 3 435.593 4.843 40 0 IJABHN COC(=O)c1c2c(sc1NC(=O)c1ccc(CN3CCc4ccccc4C3)cc1)CCC2 ZINC000020242015 569241387 /nfs/dbraw/zinc/24/13/87/569241387.db2.gz XJWWXNPTZLECJV-UHFFFAOYSA-N 0 3 446.572 4.834 40 0 IJABHN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044855615 569249314 /nfs/dbraw/zinc/24/93/14/569249314.db2.gz XJPNKAZWDHNSLG-AVRDEDQJSA-N 0 3 442.987 4.979 40 0 IJABHN COc1ccccc1OCCN(C[C@@H](O)COc1cccc2[nH]c3ccccc3c21)C(C)C ZINC000065743083 569296864 /nfs/dbraw/zinc/29/68/64/569296864.db2.gz LQUBFKUWSKDUMH-HXUWFJFHSA-N 0 3 448.563 4.859 40 0 in-vitro IJABHN COc1ccc(CN2CCC[C@@](O)(c3nc(C)c(COc4ccccc4)s3)CC2)cc1 ZINC000019705260 569327477 /nfs/dbraw/zinc/32/74/77/569327477.db2.gz QGGLWXFIJNIIAL-VWLOTQADSA-N 0 3 438.593 4.913 40 0 IJABHN COc1c(C)cccc1CN1CCC(Cc2ncncc2C(=O)Nc2ccc(F)cc2)CC1 ZINC000019757194 569328754 /nfs/dbraw/zinc/32/87/54/569328754.db2.gz AJAPBRGMUAECLN-UHFFFAOYSA-N 0 3 448.542 4.640 40 0 IJABHN COc1ccc(CN2CCC(c3ncc(C(=O)Nc4ccc(F)cc4)c(C)n3)CC2)cc1 ZINC000019763964 569328892 /nfs/dbraw/zinc/32/88/92/569328892.db2.gz YLDORQLQYXIGHD-UHFFFAOYSA-N 0 3 434.515 4.565 40 0 IJABHN Cc1cc(Nc2cc(-c3cccc(OC(F)(F)F)c3)nc(NCCN(C)C)n2)ccc1F ZINC000328966567 569583991 /nfs/dbraw/zinc/58/39/91/569583991.db2.gz CMQAOQQLDNDDEG-UHFFFAOYSA-N 0 3 449.452 5.207 40 0 IJABHN CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CCN3C[C@@H]4C(=O)Nc3ccccc3)nn2)cc1 ZINC000008299291 291387665 /nfs/dbraw/zinc/38/76/65/291387665.db2.gz ZQBJGYWBEGXODV-ZTCOLXNVSA-N 0 3 443.595 4.592 40 0 biogenic,in-vitro IJABHN COC(=O)c1c(NC(=O)c2ccc(CN3CCC(C)CC3)cc2)sc2c1CCCC2 ZINC000020460495 521769133 /nfs/dbraw/zinc/76/91/33/521769133.db2.gz XCHPMKJVUPCOCY-UHFFFAOYSA-N 0 3 426.582 4.898 40 0 IJABHN COc1ccc([C@@H]2C[N@H+](C/C(C)=C/c3ccccc3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1OC ZINC000012163392 525257575 /nfs/dbraw/zinc/25/75/75/525257575.db2.gz WMUCTSINGCISPZ-FXPRHUDCSA-N 0 3 445.563 4.794 40 0 IJABHN COc1ccc([C@@H]2C[N@@H+](C/C(C)=C/c3ccccc3)C[C@H]2c2cc(=O)[n-]c(C)n2)cc1OC ZINC000012163392 525257580 /nfs/dbraw/zinc/25/75/80/525257580.db2.gz WMUCTSINGCISPZ-FXPRHUDCSA-N 0 3 445.563 4.794 40 0 IJABHN CC[C@@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)Cc1nccc2ccccc21 ZINC000005011876 556028355 /nfs/dbraw/zinc/02/83/55/556028355.db2.gz DDZUATJAAJLKIR-WMVAVLGLSA-N 0 3 432.564 4.555 40 0 IJABHN CCOC(=O)N(C)C1(c2ccccc2)CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC000005829935 556067294 /nfs/dbraw/zinc/06/72/94/556067294.db2.gz YDHQQGLVBFEOCO-UHFFFAOYSA-N 0 3 426.532 4.868 40 0 IJABHN CCOc1cc(CN[C@@H](CC)CO)cc(Br)c1OCc1ccccc1Cl ZINC000016611378 556618148 /nfs/dbraw/zinc/61/81/48/556618148.db2.gz OARNUIAHYZHDAT-INIZCTEOSA-N 0 3 442.781 4.941 40 0 IJABHN CCc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(Cl)cc4)[C@H]3C2=O)cc1 ZINC000101017939 556644039 /nfs/dbraw/zinc/64/40/39/556644039.db2.gz KRQORUMZGUNJPE-ZLNRFVROSA-N 0 3 432.907 4.954 40 0 IJABHN O=C(Nc1ccc(N2CCCC2=O)cc1)c1ccc(CN2CCc3ccccc3C2)cc1 ZINC000044938419 556682962 /nfs/dbraw/zinc/68/29/62/556682962.db2.gz PQTKQAALEFEPJQ-UHFFFAOYSA-N 0 3 425.532 4.624 40 0 IJABHN Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000019125678 556703221 /nfs/dbraw/zinc/70/32/21/556703221.db2.gz ZOZYMKYMRJACCR-XZOQPEGZSA-N 0 3 427.972 4.521 40 0 IJABHN Cc1[nH]c2cc(C)ccc2c1[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(C)c(C)cc1O2 ZINC000019219594 556714034 /nfs/dbraw/zinc/71/40/34/556714034.db2.gz IWTSXYYPRIADLF-RPWUZVMVSA-N 0 3 434.580 4.786 40 0 IJABHN Cc1[nH]c2cc(C)ccc2c1[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2 ZINC000019219604 556714171 /nfs/dbraw/zinc/71/41/71/556714171.db2.gz YJFWRHJPFLVMIQ-YADHBBJMSA-N 0 3 440.971 4.822 40 0 IJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257306285 556717661 /nfs/dbraw/zinc/71/76/61/556717661.db2.gz STQFAKCRLCLBST-JOCHJYFZSA-N 0 3 442.563 4.885 40 0 IJABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC000019234965 556719365 /nfs/dbraw/zinc/71/93/65/556719365.db2.gz BSULTUGJESCVLW-GJZUVCINSA-N 0 3 429.564 4.782 40 0 IJABHN COc1c(C)cccc1CN1CCC([C@H](NC(=O)Cc2ccccc2)c2ccccn2)CC1 ZINC000019235931 556720590 /nfs/dbraw/zinc/72/05/90/556720590.db2.gz BVHWCMSGSVCZOP-MHZLTWQESA-N 0 3 443.591 4.711 40 0 IJABHN COc1cccc(CN2CCC([C@H](NC(=O)c3ccccc3C)c3ccccn3)CC2)c1 ZINC000019236869 556721965 /nfs/dbraw/zinc/72/19/65/556721965.db2.gz RCIXGRGKVQUBTD-SANMLTNESA-N 0 3 429.564 4.782 40 0 IJABHN CC(C)n1cc(CN2C[C@@H](c3ccccn3)[C@]3(C2)CCCCC(=O)N3)c2ccc(F)cc21 ZINC000019454775 556765005 /nfs/dbraw/zinc/76/50/05/556765005.db2.gz OIADHOLUBVQQEJ-BKMJKUGQSA-N 0 3 434.559 4.785 40 0 IJABHN COc1ccc2c(c1)c(CN1C[C@@H](c3ccccn3)[C@]3(C1)CCCCC(=O)N3)cn2C(C)C ZINC000019454792 556765026 /nfs/dbraw/zinc/76/50/26/556765026.db2.gz FGNMLYCEXFBVQF-WNCULLNHSA-N 0 3 446.595 4.654 40 0 IJABHN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019562199 556803615 /nfs/dbraw/zinc/80/36/15/556803615.db2.gz ODLRKUYNODALKM-CLJLJLNGSA-N 0 3 445.559 4.746 40 0 IJABHN COCCOc1cccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568901 556808893 /nfs/dbraw/zinc/80/88/93/556808893.db2.gz PZZLJZHHCCYFHU-QGZVFWFLSA-N 0 3 449.473 4.955 40 0 IJABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019568934 556809140 /nfs/dbraw/zinc/80/91/40/556809140.db2.gz XJPMIMWIIYHBCB-NLFFAJNJSA-N 0 3 433.527 4.613 40 0 IJABHN COc1cccc2ccc(CN3CCC(c4cc(-c5cnn(C)c5)cc(C)n4)CC3)nc21 ZINC000019692197 556848480 /nfs/dbraw/zinc/84/84/80/556848480.db2.gz LCVSEOGAACYOMQ-UHFFFAOYSA-N 0 3 427.552 4.727 40 0 IJABHN CCn1ncc(CN2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(Cl)cc3)C2)c1C ZINC000019693959 556848891 /nfs/dbraw/zinc/84/88/91/556848891.db2.gz PHVYQYGBSQVWPT-LJQANCHMSA-N 0 3 439.007 4.767 40 0 IJABHN CN1CCC(C(=O)N2CCC[C@H](c3cccc(-c4cccc(C(F)(F)F)c4)n3)C2)CC1 ZINC000072350390 556920734 /nfs/dbraw/zinc/92/07/34/556920734.db2.gz FGZGHHXBBANYJO-IBGZPJMESA-N 0 3 431.502 4.815 40 0 IJABHN CNc1ncccc1CN1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1 ZINC000072359133 556932160 /nfs/dbraw/zinc/93/21/60/556932160.db2.gz KRXVCPOLBFCJGW-KRWDZBQOSA-N 0 3 427.474 4.979 40 0 IJABHN COCc1cc(CN2CCC[C@H](c3cccc(Nc4ncccn4)n3)C2)ccc1OC(C)C ZINC000072376119 556954276 /nfs/dbraw/zinc/95/42/76/556954276.db2.gz UDODKVNPNSKJEI-NRFANRHFSA-N 0 3 447.583 4.928 40 0 IJABHN Cc1cccc(CCN2C(=O)CCc3c(C)nc([C@@H]4CCCN(C5CCCC5)C4)nc32)c1 ZINC000072380023 556957299 /nfs/dbraw/zinc/95/72/99/556957299.db2.gz WSEUYOUHMHUULF-JOCHJYFZSA-N 0 3 432.612 4.737 40 0 IJABHN O=C(c1sc2ccccc2c1C[C@H]1CCCCCN1Cc1cccnc1)N1CCOCC1 ZINC000072380075 556957597 /nfs/dbraw/zinc/95/75/97/556957597.db2.gz KOQOVIAPZNQERA-OAQYLSRUSA-N 0 3 449.620 4.756 40 0 IJABHN CC(C)c1snnc1C(=O)N1CCC[C@@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100344 557034171 /nfs/dbraw/zinc/03/41/71/557034171.db2.gz DLRBYCHMUDSKFU-JOCHJYFZSA-N 0 3 434.556 4.601 40 0 IJABHN O=C1C[C@H](NCCc2c[nH]c3ccccc23)C(=O)N1c1ccccc1Sc1ccccc1 ZINC000101319348 557123238 /nfs/dbraw/zinc/12/32/38/557123238.db2.gz XCWXYYRCULNXPQ-QFIPXVFZSA-N 0 3 441.556 4.783 40 0 IJABHN CCN1CCN(Cc2cccc3[nH]ccc32)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000585183628 557139284 /nfs/dbraw/zinc/13/92/84/557139284.db2.gz REZDYXKONQJCIF-XMMPIXPASA-N 0 3 438.575 4.753 40 0 IJABHN COCCOc1ccc(C(=O)N2CC[C@@H](c3cc(Nc4cccc(F)c4)cc(C)n3)C2)cc1 ZINC000585260816 557193601 /nfs/dbraw/zinc/19/36/01/557193601.db2.gz GFVHIBKGWAYAOX-HXUWFJFHSA-N 0 3 449.526 4.928 40 0 IJABHN Cc1ccc(CN2CCC(C(=O)N(C)Cc3nc(-c4ccc(Cl)cc4)no3)CC2)cc1 ZINC000219409390 557243131 /nfs/dbraw/zinc/24/31/31/557243131.db2.gz VUNFKQWJRKNEGR-UHFFFAOYSA-N 0 3 438.959 4.569 40 0 IJABHN CN(C)CCNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000100657909 557267585 /nfs/dbraw/zinc/26/75/85/557267585.db2.gz ZZRDIYFMTFNNPO-HDICACEKSA-N 0 3 443.657 4.629 40 0 IJABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@@H]1c1cccn1-c1ccc2ccccc2c1 ZINC000223281941 557455491 /nfs/dbraw/zinc/45/54/91/557455491.db2.gz JENICTSPHPCPNX-DQEYMECFSA-N 0 3 441.604 4.560 40 0 IJABHN CN(C)CCN1C(=S)N[C@@H](c2ccccn2)[C@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223283465 557455566 /nfs/dbraw/zinc/45/55/66/557455566.db2.gz YGCVEORDMDSQRL-LEWJYISDSA-N 0 3 426.973 4.529 40 0 IJABHN COc1ccc(OC)c([C@H](C)NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1 ZINC000223560487 557486248 /nfs/dbraw/zinc/48/62/48/557486248.db2.gz FGYTXNZHSMCEAN-IBGZPJMESA-N 0 3 430.548 4.753 40 0 IJABHN CCOc1ccccc1[C@H]1[C@@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)C2ON1c1ccccc1 ZINC000018046741 557496069 /nfs/dbraw/zinc/49/60/69/557496069.db2.gz BVWGGNMNALAHCY-VABKMULXSA-N 0 3 448.906 4.790 40 0 IJABHN CC(C)n1c(=O)sc2cc(NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)ccc21 ZINC000225174938 557696321 /nfs/dbraw/zinc/69/63/21/557696321.db2.gz PDFIOHBMUFMTLK-KRWDZBQOSA-N 0 3 427.545 4.634 40 0 IJABHN COc1cccc(Nc2cc(C)nc([C@H]3CCN(C(=O)Cc4ccccc4OC)C3)c2)c1 ZINC000257213590 568671266 /nfs/dbraw/zinc/67/12/66/568671266.db2.gz CIFZGIQNORAVAZ-FQEVSTJZSA-N 0 3 431.536 4.709 40 0 IJABHN c1ccc(O[C@H]2COC3(C2)CCN(Cc2cccc(OCc4ccccn4)c2)CC3)cc1 ZINC000257234717 568681424 /nfs/dbraw/zinc/68/14/24/568681424.db2.gz GUVQYZUFLHJXRO-AREMUKBSSA-N 0 3 430.548 4.863 40 0 IJABHN CC1CCN(c2cc(C3CCN(Cc4ccccc4F)CC3)nc(-c3cnccn3)n2)CC1 ZINC000257284070 568703771 /nfs/dbraw/zinc/70/37/71/568703771.db2.gz PBDDVGVBSVPUOB-UHFFFAOYSA-N 0 3 446.574 4.689 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@@H](Cc2ccc3ccncc3c2)C1 ZINC000257286442 568705006 /nfs/dbraw/zinc/70/50/06/568705006.db2.gz PLPKDINOYBXRAW-QHCPKHFHSA-N 0 3 443.591 4.552 40 0 IJABHN CC1(C)Cc2cc(CN3CCC[C@H](c4n[nH]cc4C(=O)N4CCCCCC4)C3)ccc2O1 ZINC000257325658 568722583 /nfs/dbraw/zinc/72/25/83/568722583.db2.gz WTVJOWHRJUKAHP-FQEVSTJZSA-N 0 3 436.600 4.519 40 0 IJABHN CCN1CCN(Cc2ccc3cc[nH]c3c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257331820 568725238 /nfs/dbraw/zinc/72/52/38/568725238.db2.gz XUKAGJVTQGTFTB-VWLOTQADSA-N 0 3 438.575 4.753 40 0 IJABHN Cc1cc(C)n2nc(C(=O)N3CC[C@@H](c4cc(Nc5ccc(F)cc5)cc(C)n4)C3)cc2n1 ZINC000257338937 568728187 /nfs/dbraw/zinc/72/81/87/568728187.db2.gz YZNHEQKCIQAPHJ-GOSISDBHSA-N 0 3 444.514 4.562 40 0 IJABHN Cc1cc(C)n2nc(C(=O)N3CC[C@H](c4cc(Nc5ccc(F)cc5)cc(C)n4)C3)cc2n1 ZINC000257338938 568728218 /nfs/dbraw/zinc/72/82/18/568728218.db2.gz YZNHEQKCIQAPHJ-SFHVURJKSA-N 0 3 444.514 4.562 40 0 IJABHN COc1ccc2c(c1)[C@H]1OCC3(CCN(Cc4scnc4C)CC3)C[C@@H]1C(C)(C)O2 ZINC000257341848 568729451 /nfs/dbraw/zinc/72/94/51/568729451.db2.gz ZMDYQTPWQOJBKD-SIKLNZKXSA-N 0 3 428.598 4.991 40 0 IJABHN CCOc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)CC(C)C)c3ccccn3)C2)cc1OC ZINC000227306683 569183196 /nfs/dbraw/zinc/18/31/96/569183196.db2.gz LXHUPULAFYZTFM-QFQXNSOFSA-N 0 3 439.600 4.605 40 0 IJABHN C/C(=C\c1ccccc1)CN1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2ccccn2)C1 ZINC000019014393 569226202 /nfs/dbraw/zinc/22/62/02/569226202.db2.gz RVMWWVHTKRNJOS-VGEDVAHYSA-N 0 3 426.564 4.763 40 0 IJABHN Cc1nc2sccn2c1CN1CC[C@@H](c2cc(COc3cccc(Cl)c3)n[nH]2)C1 ZINC000019704363 569233268 /nfs/dbraw/zinc/23/32/68/569233268.db2.gz NGWGAQKSIINYJP-OAHLLOKOSA-N 0 3 427.961 4.649 40 0 IJABHN Cc1cc2c(cc1Cl)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc4c(c3)CCC4)CC1)O2 ZINC000019125683 525605333 /nfs/dbraw/zinc/60/53/33/525605333.db2.gz ZOZYMKYMRJACCR-GOTSBHOMSA-N 0 3 427.972 4.521 40 0 IJABHN COc1cccc(CN2CCC3(C[C@]4(CO3)Nc3cc(OC)ccc3-n3cccc34)CC2)c1 ZINC000012086181 556399715 /nfs/dbraw/zinc/39/97/15/556399715.db2.gz WMXFBYQUDCKCEX-HHHXNRCGSA-N 0 3 445.563 4.570 40 0 IJABHN COc1cc(CNC[C@@H](O)c2ccccc2)cc(Br)c1OCc1ccccc1 ZINC000016195700 556590061 /nfs/dbraw/zinc/59/00/61/556590061.db2.gz XHQBQBNAKVGDBN-OAQYLSRUSA-N 0 3 442.353 4.860 40 0 IJABHN CCN1CCN(c2ccc(NC(=O)/C=C/c3cc(Cl)cc(Cl)c3OC)cc2)CC1 ZINC000016681515 556623801 /nfs/dbraw/zinc/62/38/01/556623801.db2.gz CWDFWJRPIOZHAC-RUDMXATFSA-N 0 3 434.367 4.796 40 0 IJABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000019020522 556693417 /nfs/dbraw/zinc/69/34/17/556693417.db2.gz KGRBPQVNTSPHGF-MHZLTWQESA-N 0 3 447.554 4.889 40 0 IJABHN CNC(=O)C1(Cc2cccc(-c3cccnc3)c2)CCN(Cc2cccc(Cl)c2)CC1 ZINC000257324520 556704943 /nfs/dbraw/zinc/70/49/43/556704943.db2.gz WPBITWURRQXJKU-UHFFFAOYSA-N 0 3 433.983 4.973 40 0 IJABHN CCOc1ccc(CN[C@@H]2CCCN(C(=O)C3CC3)[C@H]2c2ccc(C)s2)cc1OC ZINC000019519853 556775623 /nfs/dbraw/zinc/77/56/23/556775623.db2.gz QVTLTIQVWMJFMW-AUSIDOKSSA-N 0 3 428.598 4.696 40 0 IJABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019532687 556792830 /nfs/dbraw/zinc/79/28/30/556792830.db2.gz SZQVTLMFASBLMX-DQEYMECFSA-N 0 3 433.548 4.623 40 0 IJABHN CCOc1ccc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019532689 556792888 /nfs/dbraw/zinc/79/28/88/556792888.db2.gz SZQVTLMFASBLMX-LOSJGSFVSA-N 0 3 433.548 4.623 40 0 IJABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(-c4ccccc4)cc3)CC1)C[C@H]2O ZINC000019563051 556804128 /nfs/dbraw/zinc/80/41/28/556804128.db2.gz KWJNFTLACQOOPU-FTJBHMTQSA-N 0 3 445.559 4.746 40 0 IJABHN COc1cccc(CN2CCC(c3cc(C(F)(F)F)c4c(C)noc4n3)CC2)c1OC ZINC000019565060 556805929 /nfs/dbraw/zinc/80/59/29/556805929.db2.gz KFVDEMRZBYXKAA-UHFFFAOYSA-N 0 3 435.446 4.947 40 0 IJABHN COc1ccc(OC)c(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c1 ZINC000019568876 556808964 /nfs/dbraw/zinc/80/89/64/556808964.db2.gz QLFUYOZBQSCVLR-CQSZACIVSA-N 0 3 435.446 4.947 40 0 IJABHN COc1ccccc1C(=O)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2cccc(F)c2)C1 ZINC000019568940 556809207 /nfs/dbraw/zinc/80/92/07/556809207.db2.gz XJPMIMWIIYHBCB-CPJSRVTESA-N 0 3 433.527 4.613 40 0 IJABHN Cc1cc(CN2CCC([C@H](NC(=O)Cc3ccccc3)c3ccccn3)CC2)cc(C)c1O ZINC000019569968 556810070 /nfs/dbraw/zinc/81/00/70/556810070.db2.gz WTEHUXSZHUNQNB-MHZLTWQESA-N 0 3 443.591 4.716 40 0 IJABHN COc1cccc(CN2CCC(c3cc4n(n3)[C@@H](C(F)(F)F)C[C@@H](C)N4)CC2)c1OC ZINC000019575010 556814788 /nfs/dbraw/zinc/81/47/88/556814788.db2.gz ZYAMABFCCWQDQM-AUUYWEPGSA-N 0 3 438.494 4.587 40 0 IJABHN Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2 ZINC000019581644 556819694 /nfs/dbraw/zinc/81/96/94/556819694.db2.gz PSRCSYBFNIBMGX-SFTDATJTSA-N 0 3 426.944 4.514 40 0 IJABHN Cc1cccc(CN2CCC3(C[C@]4(CO3)Nc3cc(Cl)ccc3-n3cccc34)CC2)n1 ZINC000072327238 556903545 /nfs/dbraw/zinc/90/35/45/556903545.db2.gz BRWYRFQOUCHKGW-RUZDIDTESA-N 0 3 434.971 4.910 40 0 IJABHN O=C(CCc1ccccc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000072330548 556906184 /nfs/dbraw/zinc/90/61/84/556906184.db2.gz SSJNHGFHPCFYQM-KCWPFWIISA-N 0 3 431.555 4.923 40 0 IJABHN COc1ccc(-c2cccc(CN3CCC[C@@H]([C@H](NC(C)=O)c4nccs4)C3)c2)cc1 ZINC000072337760 556910678 /nfs/dbraw/zinc/91/06/78/556910678.db2.gz RBYHDNJXBCXYID-VWNXMTODSA-N 0 3 435.593 4.908 40 0 IJABHN Cc1cc2nc([C@@H]3CCCN(Cc4cccc5cccnc54)C3)cc(C(F)(F)F)n2n1 ZINC000072340876 556912871 /nfs/dbraw/zinc/91/28/71/556912871.db2.gz AQYACIRDNWGLNP-QGZVFWFLSA-N 0 3 425.458 4.984 40 0 IJABHN CNc1ncccc1CN1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1 ZINC000072359815 556933182 /nfs/dbraw/zinc/93/31/82/556933182.db2.gz VGJSBKXDNVLWNU-QGZVFWFLSA-N 0 3 427.474 4.979 40 0 IJABHN CC(C)c1ncc(CN2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000072371731 556940511 /nfs/dbraw/zinc/94/05/11/556940511.db2.gz WKECMUVHMWNMGN-SFHVURJKSA-N 0 3 425.964 4.588 40 0 IJABHN CC(C)c1ncc(CN2CC[C@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000072371731 556940512 /nfs/dbraw/zinc/94/05/12/556940512.db2.gz WKECMUVHMWNMGN-SFHVURJKSA-N 0 3 425.964 4.588 40 0 IJABHN CC1CCN(Cc2ccc(C(=O)N(C)Cc3nc(-c4ccccc4Cl)no3)cc2)CC1 ZINC000219236732 557232615 /nfs/dbraw/zinc/23/26/15/557232615.db2.gz XSUHSBHFVDZPOM-UHFFFAOYSA-N 0 3 438.959 4.894 40 0 IJABHN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H](C)N3CCCC3)CC2)n1 ZINC000100739096 557273670 /nfs/dbraw/zinc/27/36/70/557273670.db2.gz MNLIKWHFIYKJCQ-JAXLGGSGSA-N 0 3 435.616 4.536 40 0 IJABHN COc1cc(C)c(S(=O)(=O)NCc2ccccc2CN2CCCCC2)cc1C(C)C ZINC000224852598 557659081 /nfs/dbraw/zinc/65/90/81/557659081.db2.gz YZFXIAJWPMFTRT-UHFFFAOYSA-N 0 3 430.614 4.591 40 0 IJABHN Cc1cc(NCCNC(=S)Nc2ccc(Oc3ccccc3)nn2)c2ccccc2n1 ZINC000225221580 557701779 /nfs/dbraw/zinc/70/17/79/557701779.db2.gz NTOCPONLSTUJES-UHFFFAOYSA-N 0 3 430.537 4.524 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@@H]3C2=O)cc1 ZINC000101254251 557787773 /nfs/dbraw/zinc/78/77/73/557787773.db2.gz IXPCHQBOAOQVFT-HJOGWXRNSA-N 0 3 446.478 4.666 40 0 IJABHN Cc1nc2cc([C@@H]3CCCN3C[C@H]3CC=CCC3)nn2c(C)c1CCC(=O)NC1CCCC1 ZINC000257217283 568673105 /nfs/dbraw/zinc/67/31/05/568673105.db2.gz CYJFUOMKNFMOTI-OFVILXPXSA-N 0 3 449.643 4.831 40 0 IJABHN Cc1cccc(CN2CCC(Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)CC2)n1 ZINC000257221019 568674935 /nfs/dbraw/zinc/67/49/35/568674935.db2.gz DNEIDVCBAVATRQ-UHFFFAOYSA-N 0 3 442.607 4.802 40 0 IJABHN C[C@@H]1CC[C@@H]2[C@@H](C1)c1c([O-])c(C(=O)NCC(C)(C)C[NH+]3CCCC3)ccc1OC2(C)C ZINC000257256685 568691825 /nfs/dbraw/zinc/69/18/25/568691825.db2.gz KMLZMFUPXBGAJM-MISYRCLQSA-N 0 3 428.617 4.935 40 0 IJABHN Cc1cnc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)c2)s1 ZINC000257287494 568705603 /nfs/dbraw/zinc/70/56/03/568705603.db2.gz PQFPDZZDMMOFDA-INIZCTEOSA-N 0 3 432.553 4.713 40 0 IJABHN Cc1ccc(Nc2cc(C)nc([C@H]3CCCN(C(=O)c4cn5cccnc5n4)C3)c2)cc1 ZINC000257298533 568710528 /nfs/dbraw/zinc/71/05/28/568710528.db2.gz RMDBGUQCWILXCJ-IBGZPJMESA-N 0 3 426.524 4.505 40 0 IJABHN COc1cccc(CN2CC[C@H](c3nc(-c4cccc(C(F)(F)F)c4)no3)C2)c1OC ZINC000257305175 568713581 /nfs/dbraw/zinc/71/35/81/568713581.db2.gz SOSKRYTWKCSMSB-INIZCTEOSA-N 0 3 433.430 4.762 40 0 IJABHN CC(C)(C)NC(=O)[C@@H]1C[C@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000257322112 568720783 /nfs/dbraw/zinc/72/07/83/568720783.db2.gz WEQSNVUIBBVZCB-NEWSRXKRSA-N 0 3 436.522 4.758 40 0 IJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NCc3ccccc3)CC2)cc1 ZINC000009063139 569219753 /nfs/dbraw/zinc/21/97/53/569219753.db2.gz ICZVWBBZMMHPAX-UHFFFAOYSA-N 0 3 441.575 4.776 40 0 IJABHN COCc1cc(CN2CC[C@@H](c3ccc4c(NC(C)C)n[nH]c4n3)C2)ccc1OC(C)C ZINC000019705094 569233996 /nfs/dbraw/zinc/23/39/96/569233996.db2.gz ZZOBZRHRFLLVPB-LJQANCHMSA-N 0 3 437.588 4.701 40 0 IJABHN CCN(C(=O)Cc1nc2c(cc(C)cc2C)[nH]1)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019711807 569235086 /nfs/dbraw/zinc/23/50/86/569235086.db2.gz XSTNZCXPTJTIFW-LADGPHEKSA-N 0 3 448.611 4.553 40 0 IJABHN Cc1nc([C@H]2CCCN(Cc3cccc4cccnc43)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765138 569238823 /nfs/dbraw/zinc/23/88/23/569238823.db2.gz IKQHZGFPEOUMOU-QFIPXVFZSA-N 0 3 437.547 4.965 40 0 IJABHN CCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4)[C@]3(C)C2=O)cc1 ZINC000008737870 569472694 /nfs/dbraw/zinc/47/26/94/569472694.db2.gz LQIDFRGDSINPPB-ZEVJAHDQSA-N 0 3 428.488 4.527 40 0 IJABHN CC(C)NC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000012602732 519713484 /nfs/dbraw/zinc/71/34/84/519713484.db2.gz OQSSSYBBHWTCCN-WWNPGLIZSA-N 0 3 432.568 4.553 40 0 biogenic,in-vitro IJABHN CCCNC(=O)OC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000012602725 519887467 /nfs/dbraw/zinc/88/74/67/519887467.db2.gz CCQFQNSLISDPAY-WWNPGLIZSA-N 0 3 432.568 4.554 40 0 biogenic,in-vitro IJABHN c1csc(-c2nc(NC[C@H]3CCN(Cc4ccccc4)C3)ncc2-c2cnccn2)c1 ZINC000012184769 526575905 /nfs/dbraw/zinc/57/59/05/526575905.db2.gz VTDBGVLQHNQTHG-LJQANCHMSA-N 0 3 428.565 4.596 40 0 IJABHN Fc1ccc(NC2(c3nnnn3C3CCCCC3)CCN(Cc3ccccc3)CC2)cc1 ZINC000001664565 555708484 /nfs/dbraw/zinc/70/84/84/555708484.db2.gz HQXXCRRNPMVHET-UHFFFAOYSA-N 0 3 434.563 4.921 40 0 IJABHN CCOC(=O)c1c(NC(=O)C2CCN(Cc3ccc(C)cc3)CC2)sc2c1CCCC2 ZINC000039758399 556441721 /nfs/dbraw/zinc/44/17/21/556441721.db2.gz RAIIFOLPIRVOFG-UHFFFAOYSA-N 0 3 440.609 4.963 40 0 IJABHN CC[C@@H](C)NC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000038855425 556625690 /nfs/dbraw/zinc/62/56/90/556625690.db2.gz DEEQJZBFFZPVSN-IEBWSBKVSA-N 0 3 427.976 4.719 40 0 IJABHN CCOc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccccc1Cl ZINC000016688652 556626746 /nfs/dbraw/zinc/62/67/46/556626746.db2.gz SQBYLGASSRVYFE-CYBMUJFWSA-N 0 3 428.754 4.551 40 0 IJABHN Cc1ccc(C)c(NC(=O)CC2C(=O)N(CCc3ccccc3)c3nc4ccccc4n32)c1 ZINC000039964036 556631102 /nfs/dbraw/zinc/63/11/02/556631102.db2.gz OAYMGOSUUFBBOD-XMMPIXPASA-N 0 3 438.531 4.812 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4cccs4)[C@@H]3C2=O)cc1 ZINC000101020620 556644044 /nfs/dbraw/zinc/64/40/44/556644044.db2.gz WZGPSKSACMITHU-FKBYEOEOSA-N 0 3 434.517 4.588 40 0 IJABHN CC(C)(C)C(=O)N[C@H](C[C@@H]1CCCCN1Cc1ccc2c(c1)OCCO2)c1ccccn1 ZINC000019081730 556696421 /nfs/dbraw/zinc/69/64/21/556696421.db2.gz WKRLUOBMVGYSDK-RBBKRZOGSA-N 0 3 437.584 4.501 40 0 IJABHN c1ccc(COc2ccccc2CN2CCOC[C@H](Cc3ccc4cnccc4c3)C2)nc1 ZINC000257201915 556701287 /nfs/dbraw/zinc/70/12/87/556701287.db2.gz AJQAPJYUUYCZAA-HSZRJFAPSA-N 0 3 439.559 4.900 40 0 IJABHN Cc1[nH]c2ccc(F)cc2c1[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(C)c(C)cc1O2 ZINC000019125110 556702756 /nfs/dbraw/zinc/70/27/56/556702756.db2.gz IGEDSXKEPFPCRT-GOTSBHOMSA-N 0 3 438.543 4.616 40 0 IJABHN Cc1[nH]c2ccccc2c1[C@@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(Cl)c(C)cc1O2 ZINC000019125621 556703226 /nfs/dbraw/zinc/70/32/26/556703226.db2.gz WSJFAQGUISZBKH-VXKWHMMOSA-N 0 3 440.971 4.822 40 0 IJABHN O=C(c1ccccc1CN1CCCCC1)N1CCOC[C@@H](Cc2cncc3ccccc32)C1 ZINC000257327853 556705170 /nfs/dbraw/zinc/70/51/70/556705170.db2.gz XDAGNGXYSVCENT-QFIPXVFZSA-N 0 3 443.591 4.552 40 0 IJABHN CNC(=O)C1(Cc2ccc(-c3cccnc3)cc2)CCN(Cc2cccc(Cl)c2)CC1 ZINC000257327891 556705679 /nfs/dbraw/zinc/70/56/79/556705679.db2.gz XDEXZXXJJRNHSF-UHFFFAOYSA-N 0 3 433.983 4.973 40 0 IJABHN COc1cc(CN2CCC(O)(c3ccc(C)cc3)CC2)ccc1OCc1c(C)noc1C ZINC000019208598 556708173 /nfs/dbraw/zinc/70/81/73/556708173.db2.gz VTAMCCQCGIAIDK-UHFFFAOYSA-N 0 3 436.552 4.671 40 0 IJABHN O=C(NCC1CCCC1)[C@@H]1C[C@H](c2ccn(-c3ccccc3)n2)[C@H](c2cccc(F)c2)N1 ZINC000257284640 556715223 /nfs/dbraw/zinc/71/52/23/556715223.db2.gz PDPGXUYYOKOMIZ-VJTSUQJLSA-N 0 3 432.543 4.505 40 0 IJABHN COc1ccccc1CN1CCC([C@@H](NC(=O)c2ccccc2C)c2ccccn2)CC1 ZINC000019236876 556721968 /nfs/dbraw/zinc/72/19/68/556721968.db2.gz YQRBOCRLDVCOFT-AREMUKBSSA-N 0 3 429.564 4.782 40 0 IJABHN OC1(c2cccnc2)[C@@H]2CCC[C@H]1CN(Cc1ccc(OCc3cccc(F)c3)cc1)C2 ZINC000019293940 556733005 /nfs/dbraw/zinc/73/30/05/556733005.db2.gz PSTYOCVHJKZSJO-VKSRLUHHSA-N 0 3 432.539 4.919 40 0 IJABHN Fc1cccc(Nc2cc(-c3ccncc3)nc([C@@H]3CCN(Cc4ccccn4)C3)n2)c1 ZINC000019401531 556753810 /nfs/dbraw/zinc/75/38/10/556753810.db2.gz ITCZWEIFDNOSRL-LJQANCHMSA-N 0 3 426.499 4.806 40 0 IJABHN COc1ccc(OC)c(CN2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)c1 ZINC000019450321 556761277 /nfs/dbraw/zinc/76/12/77/556761277.db2.gz LUWSRPNVZRMGAO-UHFFFAOYSA-N 0 3 447.583 4.756 40 0 IJABHN COC(=O)c1ccc(CN2CCC(c3nc(NC(C)C)ncc3-c3cccnc3)CC2)cc1 ZINC000019450326 556761315 /nfs/dbraw/zinc/76/13/15/556761315.db2.gz HCLIGMFEVCIQPC-UHFFFAOYSA-N 0 3 445.567 4.525 40 0 IJABHN CC[C@@H](C)n1[nH]c(=O)c2c1nc(C(F)(F)F)cc2C1CCN(Cc2ccncc2)CC1 ZINC000019500045 556771723 /nfs/dbraw/zinc/77/17/23/556771723.db2.gz NLZHWPBFTMVJNB-CQSZACIVSA-N 0 3 433.478 4.901 40 0 IJABHN Cc1cccc2cc(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c12 ZINC000001378315 556795205 /nfs/dbraw/zinc/79/52/05/556795205.db2.gz YUVPUXHMRCYBFW-UHFFFAOYSA-N 0 3 438.959 4.620 40 0 IJABHN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(-c4ccccc4)cc3)CC1)C[C@@H]2O ZINC000019563048 556804020 /nfs/dbraw/zinc/80/40/20/556804020.db2.gz KWJNFTLACQOOPU-UIOOFZCWSA-N 0 3 445.559 4.746 40 0 IJABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(-c4ccccc4)cc3)CC1)C[C@H]2O ZINC000019563045 556804079 /nfs/dbraw/zinc/80/40/79/556804079.db2.gz KWJNFTLACQOOPU-CLJLJLNGSA-N 0 3 445.559 4.746 40 0 IJABHN COc1cccc(CN2CCC[C@H](c3cc(C(F)(F)F)c4c(C)noc4n3)C2)c1OC ZINC000019564361 556805242 /nfs/dbraw/zinc/80/52/42/556805242.db2.gz ADZOIFOSRCVVKV-AWEZNQCLSA-N 0 3 435.446 4.947 40 0 IJABHN COc1ccc(CCN2CCC([C@H]3CC=CCN(Cc4cccc(OC)c4)C3=O)CC2)cc1 ZINC000019698349 556856506 /nfs/dbraw/zinc/85/65/06/556856506.db2.gz QCIKZAUUYDGQFQ-HHHXNRCGSA-N 0 3 448.607 4.563 40 0 IJABHN CCOc1cc(F)ccc1NC(=O)c1ccc([C@@H]2CCCN(Cc3ccccn3)C2)nc1 ZINC000019706082 556863863 /nfs/dbraw/zinc/86/38/63/556863863.db2.gz OFCQLKPSNDKLOK-LJQANCHMSA-N 0 3 434.515 4.646 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000072330437 556905523 /nfs/dbraw/zinc/90/55/23/556905523.db2.gz KCQUFYKEMYKCRU-XXBNENTESA-N 0 3 435.593 4.843 40 0 IJABHN Cc1cccc(CN2CCC[C@H](c3ncc(C(=O)NCc4ccc(F)cc4)c(C)n3)C2)c1 ZINC000019765486 556909894 /nfs/dbraw/zinc/90/98/94/556909894.db2.gz GRTCFVDKEJPLGI-QFIPXVFZSA-N 0 3 432.543 4.542 40 0 IJABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=N[C@@H]1c1ccccc1 ZINC000408988071 556910645 /nfs/dbraw/zinc/91/06/45/556910645.db2.gz GUJMBKAPIXHXSN-JOCHJYFZSA-N 0 3 437.565 4.513 40 0 IJABHN CN1CCC(C(=O)N2CCC[C@@H](c3cccc(Cc4ccc(C(F)(F)F)cc4)n3)C2)CC1 ZINC000072350411 556920747 /nfs/dbraw/zinc/92/07/47/556920747.db2.gz BXWPWIFORPLIRV-HXUWFJFHSA-N 0 3 445.529 4.739 40 0 IJABHN CC(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cn1 ZINC000072371732 556940523 /nfs/dbraw/zinc/94/05/23/556940523.db2.gz WKECMUVHMWNMGN-GOSISDBHSA-N 0 3 425.964 4.588 40 0 IJABHN CC(C)c1ncc(CN2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)n[nH]3)C2)cn1 ZINC000072371732 556940524 /nfs/dbraw/zinc/94/05/24/556940524.db2.gz WKECMUVHMWNMGN-GOSISDBHSA-N 0 3 425.964 4.588 40 0 IJABHN OCCCn1cc(CN2CCC[C@H]2c2cccc(Nc3nccs3)n2)c2ccccc21 ZINC000072375762 556952995 /nfs/dbraw/zinc/95/29/95/556952995.db2.gz MHSMGDSATPKFDD-QFIPXVFZSA-N 0 3 433.581 4.956 40 0 IJABHN COCCn1c(C)c(CN2CCC[C@@H]2c2cccc(Nc3ncccn3)n2)c2ccccc21 ZINC000072375779 556953066 /nfs/dbraw/zinc/95/30/66/556953066.db2.gz CXBXDJWBTQLUTE-XMMPIXPASA-N 0 3 442.567 4.862 40 0 IJABHN COc1ccc2nc(CN3CCC[C@H]([C@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2c1 ZINC000072398597 556970348 /nfs/dbraw/zinc/97/03/48/556970348.db2.gz GJFHNYWRROEXLQ-CPJSRVTESA-N 0 3 446.595 4.754 40 0 IJABHN CC(C)c1snnc1C(=O)N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100348 557033974 /nfs/dbraw/zinc/03/39/74/557033974.db2.gz DLRBYCHMUDSKFU-QFIPXVFZSA-N 0 3 434.556 4.601 40 0 IJABHN CCOc1cc(CNCCN(C)C)cc(Br)c1OCc1ccccc1Cl ZINC000023471956 557093600 /nfs/dbraw/zinc/09/36/00/557093600.db2.gz LHFMUYDDVVCKDN-UHFFFAOYSA-N 0 3 441.797 4.731 40 0 IJABHN CNC(=O)C1(Cc2ccccc2-c2cccnc2)CCN(Cc2cccc(Cl)c2)CC1 ZINC000585166178 557128935 /nfs/dbraw/zinc/12/89/35/557128935.db2.gz LXETYPLIRJKMHJ-UHFFFAOYSA-N 0 3 433.983 4.973 40 0 IJABHN COc1ccc(CN2CCC(c3nc4ccc(-c5cccc(OC)c5)cn4n3)CC2)cc1 ZINC000096038226 557166011 /nfs/dbraw/zinc/16/60/11/557166011.db2.gz WHKYPCUXSNNQAX-UHFFFAOYSA-N 0 3 428.536 4.793 40 0 IJABHN COc1ccc(CNCc2cc(Br)c(OCc3cccnc3)c(OC)c2)cc1 ZINC000022107448 557177499 /nfs/dbraw/zinc/17/74/99/557177499.db2.gz GNRAJSSNHLNOTO-UHFFFAOYSA-N 0 3 443.341 4.730 40 0 IJABHN O=C([C@@H]1CCCCN1)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585262922 557203292 /nfs/dbraw/zinc/20/32/92/557203292.db2.gz DUMHOJKRCDVOIJ-NRFANRHFSA-N 0 3 447.608 4.797 40 0 IJABHN O=C([C@H]1CCCCN1)N1CCC(c2cccc(Nc3ncc(-c4ccccc4)s3)n2)CC1 ZINC000585262925 557203344 /nfs/dbraw/zinc/20/33/44/557203344.db2.gz DUMHOJKRCDVOIJ-OAQYLSRUSA-N 0 3 447.608 4.797 40 0 IJABHN O=C(NCc1ccccc1)c1ccccc1NC(=O)c1ccc(CN2CCCCC2)cc1 ZINC000010339129 557217909 /nfs/dbraw/zinc/21/79/09/557217909.db2.gz GQLVYZWTPYHMDK-UHFFFAOYSA-N 0 3 427.548 4.855 40 0 IJABHN Cc1ccc(CN2CCC(C(=O)N(C)Cc3nc(-c4ccccc4Cl)no3)CC2)cc1 ZINC000219409308 557243213 /nfs/dbraw/zinc/24/32/13/557243213.db2.gz SUYOKKRRXDWFKA-UHFFFAOYSA-N 0 3 438.959 4.569 40 0 IJABHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4cccc(Cl)c4)C(=O)[C@]32C)cc1 ZINC000102699663 557305833 /nfs/dbraw/zinc/30/58/33/557305833.db2.gz MVXQDENMQVYYIK-SLSDLSHTSA-N 0 3 448.906 4.790 40 0 IJABHN Cc1ccc(-c2noc(CN(C)C(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)n2)cc1 ZINC000222596992 557358400 /nfs/dbraw/zinc/35/84/00/557358400.db2.gz GSAOYEWUKMDUAY-FQEVSTJZSA-N 0 3 438.959 4.569 40 0 IJABHN Cc1ccc(Sc2ccc([C@H]3[C@@H](c4ccccn4)NC(=S)N3CCN(C)C)o2)cc1 ZINC000223262982 557452277 /nfs/dbraw/zinc/45/22/77/557452277.db2.gz UDGBTSORLGULBA-YADHBBJMSA-N 0 3 438.622 4.668 40 0 IJABHN CCOc1cc(CNCCOC)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688439 557475465 /nfs/dbraw/zinc/47/54/65/557475465.db2.gz NAUVDQBVVNUYEI-UHFFFAOYSA-N 0 3 428.754 4.816 40 0 IJABHN CCCOC(=O)c1cc(N)ccc1N1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000225487663 557728734 /nfs/dbraw/zinc/72/87/34/557728734.db2.gz ZLPSZEWXACNTOV-UHFFFAOYSA-N 0 3 429.564 4.747 40 0 IJABHN CC1CCN(CCOc2ccc(NC(=O)C3(c4ccc(F)cc4)CCOCC3)cc2)CC1 ZINC000225573989 557745218 /nfs/dbraw/zinc/74/52/18/557745218.db2.gz CNYAEQKDYSUGQS-UHFFFAOYSA-N 0 3 440.559 4.623 40 0 IJABHN CN(C)CCOc1ccc(NC(=O)C2(c3ccc(Cl)cc3Cl)CCOCC2)cc1 ZINC000225581988 557746779 /nfs/dbraw/zinc/74/67/79/557746779.db2.gz YUAFINUELFOCFK-UHFFFAOYSA-N 0 3 437.367 4.621 40 0 IJABHN COc1cccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4ccc5c(c4)OCCO5)C3)c2)c1 ZINC000257278893 568701770 /nfs/dbraw/zinc/70/17/70/568701770.db2.gz OECHXNNWAOEFJS-LJQANCHMSA-N 0 3 445.519 4.543 40 0 IJABHN COc1ccc(Nc2cc(C)nc([C@@H]3CCN(C(=O)c4ccc5c(c4)OCCO5)C3)c2)cc1 ZINC000257281054 568702854 /nfs/dbraw/zinc/70/28/54/568702854.db2.gz ONKSWMLCEYMOMX-LJQANCHMSA-N 0 3 445.519 4.543 40 0 IJABHN CC(C)(C)NC(=O)[C@@H]1C[C@@H](c2ccn(C(C)(C)C)n2)[C@H](c2cccc(C(F)(F)F)c2)N1 ZINC000257323249 568721265 /nfs/dbraw/zinc/72/12/65/568721265.db2.gz WJIMZEJGXXIKMX-WDSOQIARSA-N 0 3 436.522 4.758 40 0 IJABHN CCN1CCN(Cc2ccc3cc[nH]c3c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257331819 568725158 /nfs/dbraw/zinc/72/51/58/568725158.db2.gz XUKAGJVTQGTFTB-RUZDIDTESA-N 0 3 438.575 4.753 40 0 IJABHN CCN1CCN(c2ccc(NC(=O)c3ncoc3-c3ccc4ccccc4c3)cc2)CC1 ZINC000013565455 568905025 /nfs/dbraw/zinc/90/50/25/568905025.db2.gz OVOCDEHYUPQCLQ-UHFFFAOYSA-N 0 3 426.520 4.889 40 0 IJABHN CSc1ccc([C@H](c2c(O)cc(C)n(Cc3cccnc3)c2=O)N2CCC(C)CC2)cc1 ZINC000016993790 569169776 /nfs/dbraw/zinc/16/97/76/569169776.db2.gz NLDNRVNLXRHVIU-RUZDIDTESA-N 0 3 449.620 4.849 40 0 IJABHN Cc1ccc(CN2CCC(C(=O)Nc3ccccc3C(=O)N3CCCCCC3)CC2)cc1 ZINC000009063171 569219765 /nfs/dbraw/zinc/21/97/65/569219765.db2.gz OBVFUEXDKDIZNC-UHFFFAOYSA-N 0 3 433.596 4.862 40 0 IJABHN CC(C)Oc1cccc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000019450866 569226546 /nfs/dbraw/zinc/22/65/46/569226546.db2.gz PAXPZFAIOXDMHG-BKMJKUGQSA-N 0 3 444.579 4.647 40 0 IJABHN COCc1cc(CN2CC[C@H](c3ccc4c(NC(C)C)n[nH]c4n3)C2)ccc1OC(C)C ZINC000019705095 569233953 /nfs/dbraw/zinc/23/39/53/569233953.db2.gz ZZOBZRHRFLLVPB-IBGZPJMESA-N 0 3 437.588 4.701 40 0 IJABHN Cn1nc(-c2ccc(F)cc2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2COC(=O)Nc1ccccc1 ZINC000008635880 291393234 /nfs/dbraw/zinc/39/32/34/291393234.db2.gz UQYRDJHBBLEXLQ-BWAGFHJFSA-N 0 3 434.515 4.653 40 0 biogenic,in-vitro IJABHN CC[C@H]1CN2CCc3cc(OC)c(OC)cc3[C@@H]2C[C@]1(O)Cc1nccc2ccccc21 ZINC000005011877 556028294 /nfs/dbraw/zinc/02/82/94/556028294.db2.gz DDZUATJAAJLKIR-IUGBQFMMSA-N 0 3 432.564 4.555 40 0 IJABHN CCOC(=O)C1CCN(C(=O)c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)CC1 ZINC000037547412 556604853 /nfs/dbraw/zinc/60/48/53/556604853.db2.gz UIRGSMWQYZCQII-UHFFFAOYSA-N 0 3 448.607 4.557 40 0 IJABHN CCOc1cc(CNC[C@H](C)O)cc(Br)c1OCc1ccccc1Cl ZINC000016688653 556626742 /nfs/dbraw/zinc/62/67/42/556626742.db2.gz SQBYLGASSRVYFE-ZDUSSCGKSA-N 0 3 428.754 4.551 40 0 IJABHN CC(=O)N[C@H](c1ccccn1)C1CCN(Cc2cccc(OCc3ccc(F)cc3)c2)CC1 ZINC000019020566 556693399 /nfs/dbraw/zinc/69/33/99/556693399.db2.gz WMGDKJUIALAPJY-MHZLTWQESA-N 0 3 447.554 4.889 40 0 IJABHN CC(=O)N[C@@H](c1ccccn1)C1CCN(Cc2ccc(OCc3cccc(F)c3)cc2)CC1 ZINC000019020524 556693435 /nfs/dbraw/zinc/69/34/35/556693435.db2.gz KGRBPQVNTSPHGF-HHHXNRCGSA-N 0 3 447.554 4.889 40 0 IJABHN c1cnc(Oc2cccc(CN3CCOC[C@@H](Cc4cncc5ccccc54)C3)c2)nc1 ZINC000257313073 556703431 /nfs/dbraw/zinc/70/34/31/556703431.db2.gz UQXXRWHOLGVZQG-NRFANRHFSA-N 0 3 426.520 4.508 40 0 IJABHN O=C(Cc1ccc(F)cc1)N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000257223905 556708174 /nfs/dbraw/zinc/70/81/74/556708174.db2.gz DZKJCPJXMYSFBE-LVXARBLLSA-N 0 3 435.518 4.672 40 0 IJABHN Cc1cccc(CN2CCC[C@](Cc3ccc(-c4ccncc4)cc3)(C(=O)NC(C)C)C2)n1 ZINC000019236184 556720913 /nfs/dbraw/zinc/72/09/13/556720913.db2.gz YNOPVAQXLUOOFQ-MUUNZHRXSA-N 0 3 442.607 4.802 40 0 IJABHN CSc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(F)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000101195247 556758734 /nfs/dbraw/zinc/75/87/34/556758734.db2.gz JDGAMABBGGXDNF-FSSWDIPSSA-N 0 3 434.492 4.599 40 0 IJABHN CC(C)Oc1ccc(CN2C[C@H]3CCC[C@@H](C2)C3(O)c2nccn2Cc2ccccc2)cc1 ZINC000019450559 556761625 /nfs/dbraw/zinc/76/16/25/556761625.db2.gz UJKQGGCNTMNITC-GYKVFZPVSA-N 0 3 445.607 4.838 40 0 IJABHN CCCNC(=O)[C@@]1(Cc2ccc(-c3ccncc3)cc2)CCCN(Cc2cccc(C)n2)C1 ZINC000019503557 556775311 /nfs/dbraw/zinc/77/53/11/556775311.db2.gz RDAIIKONXRQEEB-MUUNZHRXSA-N 0 3 442.607 4.803 40 0 IJABHN Cc1ccc2cc(CN(CCN3CCCC3)C(=O)Nc3ccccc3Cl)c(=O)[nH]c2c1 ZINC000001352987 556781023 /nfs/dbraw/zinc/78/10/23/556781023.db2.gz WZIDMTDUAZJKRI-UHFFFAOYSA-N 0 3 438.959 4.620 40 0 IJABHN COc1ccc(CN2CCC[C@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)cc1OC ZINC000019568886 556808923 /nfs/dbraw/zinc/80/89/23/556808923.db2.gz LDCOBNLGPJDKHU-HNNXBMFYSA-N 0 3 435.446 4.947 40 0 IJABHN COCC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000019592994 556829125 /nfs/dbraw/zinc/82/91/25/556829125.db2.gz ARSCLKAEHBOKHS-WNCULLNHSA-N 0 3 447.554 4.604 40 0 IJABHN COc1ccc2c(c1)C=C(CN1CCC(c3cc(-c4ccc(N)nc4)cc(C)n3)CC1)CO2 ZINC000019692192 556848525 /nfs/dbraw/zinc/84/85/25/556848525.db2.gz OEZULASAWNOPBB-UHFFFAOYSA-N 0 3 442.563 4.698 40 0 IJABHN COc1cccc(CN2CCC[C@@H](c3ccc4c(NCc5cccc(C)n5)n[nH]c4n3)C2)c1 ZINC000019742885 556886700 /nfs/dbraw/zinc/88/67/00/556886700.db2.gz COWMBQZAJKGTOI-HXUWFJFHSA-N 0 3 442.567 4.662 40 0 IJABHN COc1ccc(CN2CCC3(C[C@]4(CO3)Nc3cc(OC)ccc3-n3cccc34)CC2)cc1 ZINC000072327202 556903618 /nfs/dbraw/zinc/90/36/18/556903618.db2.gz NHBQVFVOYWJUFL-HHHXNRCGSA-N 0 3 445.563 4.570 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330520 556906315 /nfs/dbraw/zinc/90/63/15/556906315.db2.gz DEWBTMKTRLMKPD-OFVILXPXSA-N 0 3 447.554 4.921 40 0 IJABHN Cc1nc(C2CCN(Cc3ccc4[nH]ccc4c3)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019766294 556911705 /nfs/dbraw/zinc/91/17/05/556911705.db2.gz CJKJQIZEDDOHOF-UHFFFAOYSA-N 0 3 425.536 4.898 40 0 IJABHN Nc1ncc(-c2ccc(Cl)cc2)c([C@@H]2CCCN(Cc3ccc4nccnc4c3)C2)n1 ZINC000072346150 556917384 /nfs/dbraw/zinc/91/73/84/556917384.db2.gz WYGYFVQYZPMYJL-GOSISDBHSA-N 0 3 430.943 4.702 40 0 IJABHN NC(=O)c1sc2ccccc2c1C[C@@H]1CCCN1Cc1ccc(Oc2ncccn2)cc1 ZINC000072370309 556934494 /nfs/dbraw/zinc/93/44/94/556934494.db2.gz YHHYGCBCOTZMLB-SFHVURJKSA-N 0 3 444.560 4.790 40 0 IJABHN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1ccc(OC)c(OC)c1 ZINC000072370600 556935756 /nfs/dbraw/zinc/93/57/56/556935756.db2.gz PMOKZHHFBMGGRY-GOSISDBHSA-N 0 3 438.593 4.875 40 0 IJABHN CC(C)Oc1cccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c1 ZINC000072398670 556970690 /nfs/dbraw/zinc/97/06/90/556970690.db2.gz PAXPZFAIOXDMHG-NVQXNPDNSA-N 0 3 444.579 4.647 40 0 IJABHN CN(C)CCNC(=O)c1sc2ccccc2c1[C@H]1CC[C@H](CNC(=O)C(C)(C)C)CC1 ZINC000257345036 557009063 /nfs/dbraw/zinc/00/90/63/557009063.db2.gz ZZRDIYFMTFNNPO-IYARVYRRSA-N 0 3 443.657 4.629 40 0 IJABHN CCOC(=O)c1c(NC(=O)CN2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2cc(C)ccc2n1C ZINC000005489044 557080755 /nfs/dbraw/zinc/08/07/55/557080755.db2.gz SMKZYIYUHJGHAD-GKVSMKOHSA-N 0 3 425.573 4.503 40 0 IJABHN COc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NCC(C)C)c2ccccc2O3)cc1 ZINC000096053521 557166795 /nfs/dbraw/zinc/16/67/95/557166795.db2.gz RQJAPPBEIGJIHE-QFIPXVFZSA-N 0 3 436.596 4.758 40 0 IJABHN O=C(NCCCN1CCCc2ccccc21)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000260511927 557167435 /nfs/dbraw/zinc/16/74/35/557167435.db2.gz SZEYBJUGBGQYNT-QFIPXVFZSA-N 0 3 426.004 4.511 40 0 IJABHN COc1ccccc1-c1cccc(CN2CCOC[C@@H](Cc3ccc4cc[nH]c4n3)C2)c1 ZINC000585261956 557198005 /nfs/dbraw/zinc/19/80/05/557198005.db2.gz NIYJZVZLFHQOLX-NRFANRHFSA-N 0 3 427.548 4.930 40 0 IJABHN Cc1c(Cl)cccc1-c1ccc([C@@H]2[C@@H](c3ccccn3)NC(=S)N2CCN(C)C)o1 ZINC000223286152 557456091 /nfs/dbraw/zinc/45/60/91/557456091.db2.gz COBRVDSBZQBLTI-FGZHOGPDSA-N 0 3 441.000 4.838 40 0 IJABHN CCOc1ccc(N2C(=S)N[C@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000223788764 557513656 /nfs/dbraw/zinc/51/36/56/557513656.db2.gz UXEBMYZFAIREHP-DNQXCXABSA-N 0 3 441.560 4.843 40 0 IJABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCC(Cc3ccc4ncccc4c3)CC2)CC1 ZINC000257227008 568677520 /nfs/dbraw/zinc/67/75/20/568677520.db2.gz FNFPZOABCKDEAI-UHFFFAOYSA-N 0 3 441.619 4.971 40 0 IJABHN Cc1cc(C(=O)N(C)C)nc([C@@]2(C)CCCN(Cc3cccc(-c4ccc(F)cc4)c3)C2)n1 ZINC000257242753 568684992 /nfs/dbraw/zinc/68/49/92/568684992.db2.gz IDZHDHGSSDJPLX-MHZLTWQESA-N 0 3 446.570 4.847 40 0 IJABHN CCc1nccn1C[C@@H](C)C(=O)N1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 ZINC000257265668 568695930 /nfs/dbraw/zinc/69/59/30/568695930.db2.gz LZULKUUMDASYEE-GOSISDBHSA-N 0 3 446.599 4.638 40 0 IJABHN Cc1cccc(CN2CCC(C(=O)Nc3ccccc3C(=O)NC3CCCCC3)CC2)c1 ZINC000009063035 569219790 /nfs/dbraw/zinc/21/97/90/569219790.db2.gz CUDXNFQXGMXSHB-UHFFFAOYSA-N 0 3 433.596 4.908 40 0 IJABHN O=C(Nc1ccccc1C(=O)N1CCCCCC1)C1CCN(Cc2ccc(F)cc2)CC1 ZINC000009063635 569220017 /nfs/dbraw/zinc/22/00/17/569220017.db2.gz IDSKLXQNWYGXDD-UHFFFAOYSA-N 0 3 437.559 4.693 40 0 IJABHN COCc1ccc(OC)c(CN2CC[C@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)c1 ZINC000019704372 569233292 /nfs/dbraw/zinc/23/32/92/569233292.db2.gz QBBVFPHABMHCRO-SFHVURJKSA-N 0 3 441.959 4.787 40 0 IJABHN COc1ccc(NC(=O)c2cnc([C@@H]3CCN(Cc4ccc(C)c(C)c4)C3)nc2C)cc1 ZINC000019766204 569239309 /nfs/dbraw/zinc/23/93/09/569239309.db2.gz DHYIEXMPHVNWRH-OAQYLSRUSA-N 0 3 430.552 4.652 40 0 IJABHN Cc1ccccc1-c1ccccc1CC1(C(=O)N(C)C)CCN(Cc2ccccn2)CC1 ZINC000019700047 569327014 /nfs/dbraw/zinc/32/70/14/569327014.db2.gz PJASPKVCTHEWGE-UHFFFAOYSA-N 0 3 427.592 4.970 40 0 IJABHN CN(C)c1ccc(-c2nnc([C@H]3CCN(Cc4cccc(OC(F)(F)F)c4)C3)o2)cc1 ZINC000049170260 291390137 /nfs/dbraw/zinc/39/01/37/291390137.db2.gz DYYSSPQPTDLRQW-KRWDZBQOSA-N 0 3 432.446 4.691 40 0 biogenic,in-vitro IJABHN COc1ccc(-c2cccc(CN3CCC[C@@H]([C@@H](NC(C)=O)c4nccs4)C3)c2)cc1 ZINC000012157694 523140402 /nfs/dbraw/zinc/14/04/02/523140402.db2.gz RBYHDNJXBCXYID-ISKFKSNPSA-N 0 3 435.593 4.908 40 0 IJABHN C[C@H]1CCCCN1C[C@]1(C)COc2c(Br)cc(Br)cc2C1=O ZINC000035193462 526251269 /nfs/dbraw/zinc/25/12/69/526251269.db2.gz LPOZMPDPRTXQTO-APPDUMDISA-N 0 3 431.168 4.667 40 0 IJABHN c1csc(-c2nc(NC[C@@H]3CCN(Cc4ccccc4)C3)ncc2-c2cnccn2)c1 ZINC000012184763 526575536 /nfs/dbraw/zinc/57/55/36/526575536.db2.gz VTDBGVLQHNQTHG-IBGZPJMESA-N 0 3 428.565 4.596 40 0 IJABHN CCC(=O)N(c1ccccc1)[C@@H](C)CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000001640698 555707632 /nfs/dbraw/zinc/70/76/32/555707632.db2.gz ANLCHBGKKKGPRO-SFHVURJKSA-N 0 3 434.502 4.821 40 0 IJABHN CCC(=O)N(c1ccccc1)[C@H](C)CN1CCC(O)(c2cccc(C(F)(F)F)c2)CC1 ZINC000001640699 555707678 /nfs/dbraw/zinc/70/76/78/555707678.db2.gz ANLCHBGKKKGPRO-GOSISDBHSA-N 0 3 434.502 4.821 40 0 IJABHN C[C@@H](Oc1ccc(Br)cc1)C(=O)NCc1ccccc1CN1CCCCC1 ZINC000010281073 556329480 /nfs/dbraw/zinc/32/94/80/556329480.db2.gz BAXAJWJORXJVJP-QGZVFWFLSA-N 0 3 431.374 4.519 40 0 IJABHN O=C(CC1C(=O)N(CCC2=CCCCC2)c2nc3ccccc3n21)Nc1ccccc1F ZINC000039964052 556631343 /nfs/dbraw/zinc/63/13/43/556631343.db2.gz OVMFRTYAZKZACH-JOCHJYFZSA-N 0 3 432.499 4.982 40 0 IJABHN COc1ccc2nc(CN3CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c4ccccn4)C3)ccc2c1 ZINC000019081894 556696676 /nfs/dbraw/zinc/69/66/76/556696676.db2.gz GJFHNYWRROEXLQ-NBGIEHNGSA-N 0 3 446.595 4.754 40 0 IJABHN CN1C(=O)C2(C[C@@H]1Cc1cccc(F)c1)CCN(Cc1ccccc1N1CCCCC1)CC2 ZINC000257202299 556701257 /nfs/dbraw/zinc/70/12/57/556701257.db2.gz ALESNDXYIYNBKT-VWLOTQADSA-N 0 3 449.614 4.872 40 0 IJABHN CN1C(=O)C2(C[C@H]1Cc1cccc(F)c1)CCN(Cc1ccccc1N1CCCCC1)CC2 ZINC000257202298 556701270 /nfs/dbraw/zinc/70/12/70/556701270.db2.gz ALESNDXYIYNBKT-RUZDIDTESA-N 0 3 449.614 4.872 40 0 IJABHN Cc1cc2c(cc1Cl)[C@H](O)CC1(CCN(C[C@@H](O)c3cn(C)c4ccccc34)CC1)O2 ZINC000019125717 556703279 /nfs/dbraw/zinc/70/32/79/556703279.db2.gz JIISLOFLWBEPRP-DHIUTWEWSA-N 0 3 440.971 4.524 40 0 IJABHN CC(=O)N1CCC[C@@H](NCc2ccccc2OCc2ccccn2)[C@@H]1c1ccc(C)s1 ZINC000019217344 556712562 /nfs/dbraw/zinc/71/25/62/556712562.db2.gz GQXWSYBJAFUKGG-RCZVLFRGSA-N 0 3 435.593 4.872 40 0 IJABHN Cc1c2ccc(C)cc2oc1C(=O)N1CCC(O)(CN2CCCC[C@@H]2c2cccnc2)CC1 ZINC000019217979 556713041 /nfs/dbraw/zinc/71/30/41/556713041.db2.gz DYMQSBYCBDVPNV-HSZRJFAPSA-N 0 3 447.579 4.639 40 0 IJABHN COc1ccccc1CN1CCC[C@H]([C@@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000019236844 556721425 /nfs/dbraw/zinc/72/14/25/556721425.db2.gz GVFQLIZOLGYTFV-BKMJKUGQSA-N 0 3 429.564 4.782 40 0 IJABHN Cn1cc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2ccc4ccccc4c2O3)c2ccccc21 ZINC000019290373 556730517 /nfs/dbraw/zinc/73/05/17/556730517.db2.gz IDRXPKCDOQGFRD-IZZNHLLZSA-N 0 3 442.559 4.716 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccccc4F)[C@H]3C2=O)cc1 ZINC000013811520 556743874 /nfs/dbraw/zinc/74/38/74/556743874.db2.gz IXPCHQBOAOQVFT-SGNDLWITSA-N 0 3 446.478 4.666 40 0 IJABHN O=C(NCc1ccncc1)c1cc([C@H]2CCCN(Cc3cccc4ccccc43)C2)no1 ZINC000019376381 556752102 /nfs/dbraw/zinc/75/21/02/556752102.db2.gz MBGIHNCDTOXYTE-QFIPXVFZSA-N 0 3 426.520 4.532 40 0 IJABHN O=C(NCc1ccncc1)c1cc([C@@H]2CCCN(Cc3cccc4ccccc43)C2)no1 ZINC000019376380 556752204 /nfs/dbraw/zinc/75/22/04/556752204.db2.gz MBGIHNCDTOXYTE-JOCHJYFZSA-N 0 3 426.520 4.532 40 0 IJABHN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(-c4ccccc4)cc3)CC1)C[C@@H]2O ZINC000019563042 556803991 /nfs/dbraw/zinc/80/39/91/556803991.db2.gz KWJNFTLACQOOPU-IZZNHLLZSA-N 0 3 445.559 4.746 40 0 IJABHN COc1cccc([C@@H]2CN(Cc3ccccc3N3CCCCC3)C[C@]23CCCCC(=O)N3)c1 ZINC000019566129 556806900 /nfs/dbraw/zinc/80/69/00/556806900.db2.gz HDTLQZJNIFQBGG-LBNVMWSVSA-N 0 3 447.623 4.714 40 0 IJABHN CN1CCC(Nc2ncc(-c3ccc(F)cc3)c(-c3cnn(Cc4ccccc4)c3)n2)CC1 ZINC000019588192 556824065 /nfs/dbraw/zinc/82/40/65/556824065.db2.gz OTDIHEQPAGPBRC-UHFFFAOYSA-N 0 3 442.542 4.701 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@H]([C@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000072330436 556905543 /nfs/dbraw/zinc/90/55/43/556905543.db2.gz KCQUFYKEMYKCRU-CVDCTZTESA-N 0 3 435.593 4.843 40 0 IJABHN COc1ccccc1CN1CCC[C@@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000072330484 556905819 /nfs/dbraw/zinc/90/58/19/556905819.db2.gz GVFQLIZOLGYTFV-GJZUVCINSA-N 0 3 429.564 4.782 40 0 IJABHN CCOC(=O)C1=C(C)NC(SCC(=O)Nc2cc(C)ccc2C)=N[C@H]1c1ccccc1 ZINC000408988466 556910693 /nfs/dbraw/zinc/91/06/93/556910693.db2.gz IAQGMJZQINWIOG-QFIPXVFZSA-N 0 3 437.565 4.513 40 0 IJABHN Cc1nc([C@@H]2CCCN(Cc3ccc4[nH]ccc4c3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765994 556911069 /nfs/dbraw/zinc/91/10/69/556911069.db2.gz XKYFPFQPXBJRLR-OAQYLSRUSA-N 0 3 425.536 4.898 40 0 IJABHN CCOc1ccc(CN2CCC(c3ccc(Nc4ncccc4C)cn3)CC2)cc1CO ZINC000072374332 556947971 /nfs/dbraw/zinc/94/79/71/556947971.db2.gz XGGPUYBKKBSGNE-UHFFFAOYSA-N 0 3 432.568 4.799 40 0 IJABHN COc1ccc(CN2CCC[C@@]23CCCN(C(=O)Cc2ccc(Cl)cc2)C3)cc1F ZINC000096214572 557183624 /nfs/dbraw/zinc/18/36/24/557183624.db2.gz NTMUSJNPSFVMLO-XMMPIXPASA-N 0 3 430.951 4.687 40 0 IJABHN O=C([C@@H]1CCCN(Cc2ccc(Cl)cc2)C1)N1CCc2cc(Br)ccc21 ZINC000225903853 557790107 /nfs/dbraw/zinc/79/01/07/557790107.db2.gz NLQVFHNDNRZYJA-QGZVFWFLSA-N 0 3 433.777 4.904 40 0 IJABHN CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4cnc(C)nc4)CC3)CO[C@H]21 ZINC000257281408 568702617 /nfs/dbraw/zinc/70/26/17/568702617.db2.gz OPASEOPUAUMLTF-JTHBVZDNSA-N 0 3 437.584 4.715 40 0 IJABHN CC(C)(C)NC(=O)[C@@H]1C[C@@H](c2ccn(C(C)(C)C)n2)[C@H](c2ccc(C(F)(F)F)cc2)N1 ZINC000257322113 568720790 /nfs/dbraw/zinc/72/07/90/568720790.db2.gz WEQSNVUIBBVZCB-WDSOQIARSA-N 0 3 436.522 4.758 40 0 IJABHN O=C(NCc1ccc(OCc2ccc(F)cc2)cc1)C1CCN(Cc2ccccc2)CC1 ZINC000009062521 569219627 /nfs/dbraw/zinc/21/96/27/569219627.db2.gz LZWJWCKQMAJSAF-UHFFFAOYSA-N 0 3 432.539 4.933 40 0 IJABHN Cc1cc(CN2CCC[C@@H]([C@@H](NC(=O)c3cccs3)c3ccccn3)C2)cc(C)c1O ZINC000019569989 569226928 /nfs/dbraw/zinc/22/69/28/569226928.db2.gz FSKZJEKNOIJYHI-NFBKMPQASA-N 0 3 435.593 4.849 40 0 IJABHN C/C(=C\c1ccccc1)CN1CC[C@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019702144 569231809 /nfs/dbraw/zinc/23/18/09/569231809.db2.gz XIAAXDPECHWDHX-HCUHUEOSSA-N 0 3 447.604 4.662 40 0 IJABHN COCc1ccc(OC)c(CN2CC[C@@H](c3cc(COc4ccc(Cl)cc4)[nH]n3)C2)c1 ZINC000019704371 569233274 /nfs/dbraw/zinc/23/32/74/569233274.db2.gz QBBVFPHABMHCRO-GOSISDBHSA-N 0 3 441.959 4.787 40 0 IJABHN Cc1ccc(-c2ncc(CN3CC[C@H]4[C@H]3CCCCC(=O)N4Cc3ccccc3)cn2)cc1 ZINC000019713162 569235419 /nfs/dbraw/zinc/23/54/19/569235419.db2.gz URPXUXQZTIXPNR-FTJBHMTQSA-N 0 3 440.591 4.998 40 0 IJABHN Cc1nc([C@@H]2CCCN(Cc3ccccc3-c3ccccc3F)C2)ncc1C(=O)N(C)C ZINC000019763068 569237874 /nfs/dbraw/zinc/23/78/74/569237874.db2.gz IZIBCGCJWZEDLK-HXUWFJFHSA-N 0 3 432.543 4.673 40 0 IJABHN COc1cccc2cc(CN3CCC[C@H](c4ncc(C(=O)N5CCCCC5)c(C)n4)C3)oc21 ZINC000019763317 569237883 /nfs/dbraw/zinc/23/78/83/569237883.db2.gz ZWAZUXUTXIUQOR-FQEVSTJZSA-N 0 3 448.567 4.546 40 0 IJABHN Cc1nc([C@@H]2CCCN(Cc3cccc4cccnc43)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765136 569238756 /nfs/dbraw/zinc/23/87/56/569238756.db2.gz IKQHZGFPEOUMOU-JOCHJYFZSA-N 0 3 437.547 4.965 40 0 IJABHN COc1ccccc1-c1ccccc1CN1CCC(c2ncc(C(=O)N(C)C)c(C)n2)CC1 ZINC000019766432 569239335 /nfs/dbraw/zinc/23/93/35/569239335.db2.gz WORZZEFARHVLIX-UHFFFAOYSA-N 0 3 444.579 4.542 40 0 IJABHN Cc1ccc(N2OC3C(=O)N(c4ccc(C(F)(F)F)cc4)C(=O)[C@@H]3[C@H]2c2ccco2)cc1 ZINC000008763769 569290315 /nfs/dbraw/zinc/29/03/15/569290315.db2.gz OSIPTGSIYCIGGH-VAMGGRTRSA-N 0 3 442.393 4.658 40 0 IJABHN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(Cl)c4)C(=O)C3ON2c2ccccc2C)cc1 ZINC000012017595 569303570 /nfs/dbraw/zinc/30/35/70/569303570.db2.gz MXDJBYWEIIEIQR-XPWALMASSA-N 0 3 448.906 4.708 40 0 IJABHN C/C(=C\c1ccccc1)CN1CCC[C@@H](c2ncc(C(=O)NCc3ccccc3)c(C)n2)C1 ZINC000019763517 569328848 /nfs/dbraw/zinc/32/88/48/569328848.db2.gz UUVVAGFSTLWDDU-KZTQLJDNSA-N 0 3 440.591 4.998 40 0 IJABHN Fc1cccc(-c2cc3nc4c(c(N5CCN(C6CCCCC6)CC5)n3n2)CCCC4)c1 ZINC000013562813 132349888 /nfs/dbraw/zinc/34/98/88/132349888.db2.gz CIKALONZIZHCQI-UHFFFAOYSA-N 0 3 433.575 4.869 40 0 IJABHN CC1CCN(C[C@@]2(C)COc3c(Br)cc(Br)cc3C2=O)CC1 ZINC000016609170 521019039 /nfs/dbraw/zinc/01/90/39/521019039.db2.gz DUKBVCZXYXQIDA-KRWDZBQOSA-N 0 3 431.168 4.525 40 0 IJABHN Cc1cccc(CN2CCC(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)CC2)c1 ZINC000039757056 556439300 /nfs/dbraw/zinc/43/93/00/556439300.db2.gz YOXMEPZISBPFJB-UHFFFAOYSA-N 0 3 445.529 4.575 40 0 IJABHN COc1ccccc1NC(=O)CC1C(=O)N([C@@H]2CCC[C@@H](C)[C@H]2C)c2nc3ccccc3n21 ZINC000039964076 556445557 /nfs/dbraw/zinc/44/55/57/556445557.db2.gz AWIKYMLKYWIXID-ZFNVSSEQSA-N 0 3 446.551 4.786 40 0 IJABHN O=C(Nc1ccccc1C(=O)N1CCCCCC1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000030941750 556516249 /nfs/dbraw/zinc/51/62/49/556516249.db2.gz WLHPDKDPQRABSR-NRFANRHFSA-N 0 3 437.559 4.693 40 0 IJABHN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000038857149 556625613 /nfs/dbraw/zinc/62/56/13/556625613.db2.gz AXERMQSZKCNARK-HXUWFJFHSA-N 0 3 446.422 4.863 40 0 IJABHN Cc1ccc(CN2C(=O)C(CC(=O)Nc3ccc(C)cc3F)n3c4ccccc4nc32)cc1 ZINC000039964004 556631077 /nfs/dbraw/zinc/63/10/77/556631077.db2.gz FYQGPTBNQZXWDM-HSZRJFAPSA-N 0 3 442.494 4.909 40 0 IJABHN COc1ccc(CN2CC[C@@H]3[C@H](C2)[C@@H](c2cccc(OC)c2)CN3C(=O)C(C)(C)C)cc1 ZINC000019081622 556696399 /nfs/dbraw/zinc/69/63/99/556696399.db2.gz CGPKGHNLVRBRPY-UBFVSLLYSA-N 0 3 436.596 4.566 40 0 IJABHN CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2ccncc2)CC1 ZINC000257206359 556701691 /nfs/dbraw/zinc/70/16/91/556701691.db2.gz BDAICVHFNIMTEL-UHFFFAOYSA-N 0 3 431.555 4.849 40 0 IJABHN c1ccc2c(c1)C=C(CN1CCC(c3nc(NC4CC4)ncc3-c3ccncc3)CC1)CO2 ZINC000019375129 556751404 /nfs/dbraw/zinc/75/14/04/556751404.db2.gz LBBKRZUJYNWZCW-UHFFFAOYSA-N 0 3 439.563 4.768 40 0 IJABHN COc1ccccc1-c1ccc(C[C@]2(C(=O)NC(C)C)CCN(Cc3cccnc3)C2)cc1 ZINC000019449588 556760441 /nfs/dbraw/zinc/76/04/41/556760441.db2.gz VNINTBAYYSHYST-MUUNZHRXSA-N 0 3 443.591 4.717 40 0 IJABHN CC(C)Oc1ccc(CN2CCC([C@@H](NC(=O)c3ccccn3)c3ccccn3)CC2)cc1 ZINC000019450598 556761472 /nfs/dbraw/zinc/76/14/72/556761472.db2.gz GSDNGJBNYBGPSZ-AREMUKBSSA-N 0 3 444.579 4.647 40 0 IJABHN C[C@H]1Cc2cc(CN3CCC([C@@H](NC(=O)c4cccs4)c4ccccn4)CC3)ccc2O1 ZINC000019498178 556770616 /nfs/dbraw/zinc/77/06/16/556770616.db2.gz USYBJAWRWPWPSO-AVRWGWEMSA-N 0 3 447.604 4.850 40 0 IJABHN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(-c4ccccc4)cc3)CC1)O2 ZINC000019562205 556803517 /nfs/dbraw/zinc/80/35/17/556803517.db2.gz ODLRKUYNODALKM-IZZNHLLZSA-N 0 3 445.559 4.746 40 0 IJABHN Cc1[nH]c2ccc(F)cc2c1[C@H](O)CN1CCC2(CC1)C[C@H](O)c1cc(Cl)ccc1O2 ZINC000019581415 556819310 /nfs/dbraw/zinc/81/93/10/556819310.db2.gz MQFGQROXBBIDHV-LEWJYISDSA-N 0 3 444.934 4.653 40 0 IJABHN CCn1ncc(CN2CCC(c3nc(N(C)C)ncc3-c3cccc(Cl)c3)CC2)c1C ZINC000019695327 556852142 /nfs/dbraw/zinc/85/21/42/556852142.db2.gz QSCSYMNMZDRWHX-UHFFFAOYSA-N 0 3 439.007 4.767 40 0 IJABHN CCCNC(=O)C1(Cc2ccccc2-c2cccc(F)c2)CCN(Cc2cnn(C)c2)CC1 ZINC000019700037 556859589 /nfs/dbraw/zinc/85/95/89/556859589.db2.gz VCFFSCJEIBWQAA-UHFFFAOYSA-N 0 3 448.586 4.577 40 0 IJABHN Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(Cc3ccccn3)CC2)c1 ZINC000019700377 556859922 /nfs/dbraw/zinc/85/99/22/556859922.db2.gz LIKAONSHSAYWIQ-UHFFFAOYSA-N 0 3 427.592 4.970 40 0 IJABHN COc1ccccc1CN1CCC[C@H]([C@H](NC(=O)c2ccccc2C)c2ccccn2)C1 ZINC000072330485 556905751 /nfs/dbraw/zinc/90/57/51/556905751.db2.gz GVFQLIZOLGYTFV-NVQXNPDNSA-N 0 3 429.564 4.782 40 0 IJABHN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cn(C)c3ccc(F)cc23)C1 ZINC000072352532 556924414 /nfs/dbraw/zinc/92/44/14/556924414.db2.gz NPKUJXSLQNGGCI-HNNXBMFYSA-N 0 3 436.556 4.618 40 0 IJABHN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1cnn2c1nc(C)cc2C ZINC000072370488 556935046 /nfs/dbraw/zinc/93/50/46/556935046.db2.gz RYWDFDXXXCXPTG-IBGZPJMESA-N 0 3 447.608 4.518 40 0 IJABHN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H]3c3cc(Nc4ncccc4C)cc(C)n3)c2c1 ZINC000072372750 556944233 /nfs/dbraw/zinc/94/42/33/556944233.db2.gz HVXIASUTUZCEGB-JOCHJYFZSA-N 0 3 426.524 4.999 40 0 IJABHN CCN(CC)C(=O)C[C@@H]1CC2(CCN(Cc3ccc(OC)cc3)CC2)Oc2ccccc21 ZINC000096053474 557166872 /nfs/dbraw/zinc/16/68/72/557166872.db2.gz ONQRUUSOMSDKBC-JOCHJYFZSA-N 0 3 436.596 4.855 40 0 IJABHN CN(Cc1ccccc1)C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2cc3ccccc3o2)C1 ZINC000072344831 557377135 /nfs/dbraw/zinc/37/71/35/557377135.db2.gz WXDLILUMUVZNAW-OAQYLSRUSA-N 0 3 428.536 4.808 40 0 IJABHN CCOc1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@H]2c2cccn2-c2ccncc2)cc1 ZINC000223788704 557513406 /nfs/dbraw/zinc/51/34/06/557513406.db2.gz UXEBMYZFAIREHP-BJKOFHAPSA-N 0 3 441.560 4.843 40 0 IJABHN CN(C)c1ccc(N2C(=S)N[C@@H](c3ccccn3)[C@@H]2c2cccn2-c2ccncc2)cc1 ZINC000223887243 557525325 /nfs/dbraw/zinc/52/53/25/557525325.db2.gz GLCNJIUVHQGSAF-ZEQRLZLVSA-N 0 3 440.576 4.510 40 0 IJABHN Cc1nc2cc([C@H]3CCCN3CC3CCCCC3)nn2c(C)c1CCC(=O)NCC1CC1 ZINC000257239318 568683349 /nfs/dbraw/zinc/68/33/49/568683349.db2.gz HOTMWWJVZVQFDF-XMMPIXPASA-N 0 3 437.632 4.522 40 0 IJABHN CCc1nccn1C[C@H](C)C(=O)N1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 ZINC000257265669 568695801 /nfs/dbraw/zinc/69/58/01/568695801.db2.gz LZULKUUMDASYEE-SFHVURJKSA-N 0 3 446.599 4.638 40 0 IJABHN CCCNC(=O)CCc1c(C)nc2cc([C@H]3CCCN3CC3CCCCC3)nn2c1C ZINC000257272826 568698953 /nfs/dbraw/zinc/69/89/53/568698953.db2.gz NEAXVXWEUGVNTL-HSZRJFAPSA-N 0 3 425.621 4.522 40 0 IJABHN CCN1CCN(Cc2c[nH]c3ccccc23)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257275712 568700411 /nfs/dbraw/zinc/70/04/11/568700411.db2.gz NQPBQOQYZHDJOF-HSZRJFAPSA-N 0 3 438.575 4.753 40 0 IJABHN Cc1ccccc1CN1CCC[C@@H](c2nc(C)c(CC(=O)NC3CCCCC3)c(C)n2)C1 ZINC000257285905 568704770 /nfs/dbraw/zinc/70/47/70/568704770.db2.gz PJJRNASKHYHWOK-HSZRJFAPSA-N 0 3 434.628 4.773 40 0 IJABHN COc1ccccc1CC(=O)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000257312919 568716771 /nfs/dbraw/zinc/71/67/71/568716771.db2.gz UQESDCXLRAISCI-AMGIVPHBSA-N 0 3 447.554 4.542 40 0 IJABHN Cc1nc2cc([C@@H]3CCCCN3CC3CCCCC3)nn2c(C)c1CCC(=O)NC1CC1 ZINC000257343315 568729908 /nfs/dbraw/zinc/72/99/08/568729908.db2.gz ZSJLZWPILRCYSQ-DEOSSOPVSA-N 0 3 437.632 4.665 40 0 IJABHN CCc1nc(-c2cncnc2[C@@H]2CCN(Cc3cn(C(C)C)c4ccc(OC)cc34)C2)no1 ZINC000019693726 569229104 /nfs/dbraw/zinc/22/91/04/569229104.db2.gz ACAINRFRPDBBJL-QGZVFWFLSA-N 0 3 446.555 4.623 40 0 IJABHN CCN(C(=O)c1ccc2c(c1)ncn2C1CC1)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019711783 569234930 /nfs/dbraw/zinc/23/49/30/569234930.db2.gz IYWIWXYANDXMEF-JYFHCDHNSA-N 0 3 446.595 4.815 40 0 IJABHN CCN(C(=O)c1cc2ccc(N(C)C)cc2[nH]1)[C@H]1CCO[C@@H](c2ccc(CN(C)C)cc2)C1 ZINC000019711784 569235102 /nfs/dbraw/zinc/23/51/02/569235102.db2.gz UTOWYWLNVAVFCM-JYFHCDHNSA-N 0 3 448.611 4.678 40 0 IJABHN O=C1CCCC[C@@H]2[C@H](C[C@@H](Cc3ccccc3F)N2Cc2cnn(C3CCCCC3)c2)N1 ZINC000019713913 569235806 /nfs/dbraw/zinc/23/58/06/569235806.db2.gz YDNNLIVYEISBBF-PZUNEJSGSA-N 0 3 438.591 4.772 40 0 IJABHN COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2c(C)nn(C(C)C)c2C)cc1 ZINC000019713840 569235825 /nfs/dbraw/zinc/23/58/25/569235825.db2.gz BBCULDAIZRZWNZ-RPBOFIJWSA-N 0 3 438.616 4.635 40 0 IJABHN O=C1[C@H](C2CCN(Cc3ccc4nccnc4c3)CC2)CCCCN1Cc1ccccc1 ZINC000019703476 569327336 /nfs/dbraw/zinc/32/73/36/569327336.db2.gz SHIYVRVNIZMBLY-DEOSSOPVSA-N 0 3 428.580 4.671 40 0 IJABHN Cc1cc2c(cc1C)OC1(C=C2)CCN(C[C@H](O)c2ccc(NC(=O)C3CC3)cc2)CC1 ZINC000012188012 525594567 /nfs/dbraw/zinc/59/45/67/525594567.db2.gz QAIDEDHARZAMPU-DEOSSOPVSA-N 0 3 432.564 4.626 40 0 IJABHN Cc1cccc(N2CCN(C(=O)c3ccc(CN4CCc5ccccc5C4)cc3)CC2)c1C ZINC000408575777 555926307 /nfs/dbraw/zinc/92/63/07/555926307.db2.gz QZHOSKQQMRFZTF-UHFFFAOYSA-N 0 3 439.603 4.824 40 0 IJABHN CC(C)COc1ccc(-c2cc(C(=O)NC[C@H](c3ccccc3)N3CCCC3)no2)cc1 ZINC000028296123 556451338 /nfs/dbraw/zinc/45/13/38/556451338.db2.gz ADPMQQCTOMFZQZ-XMMPIXPASA-N 0 3 433.552 4.943 40 0 IJABHN COc1cc(CNC[C@@H]2CCCO2)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016195437 556589884 /nfs/dbraw/zinc/58/98/84/556589884.db2.gz VIRNYZDJXDJZRJ-KRWDZBQOSA-N 0 3 440.765 4.959 40 0 IJABHN CC[C@H](CO)NCc1cc(Br)c(OCc2ccccc2Cl)c(OC)c1 ZINC000016611376 556618060 /nfs/dbraw/zinc/61/80/60/556618060.db2.gz MMWCBORRRGIDDD-OAHLLOKOSA-N 0 3 428.754 4.551 40 0 IJABHN CC1CCN(Cc2ccc(C(=O)Nc3ccc(I)cc3)cc2)CC1 ZINC000038834854 556622852 /nfs/dbraw/zinc/62/28/52/556622852.db2.gz OUPSUIDJUJTLNW-UHFFFAOYSA-N 0 3 434.321 4.775 40 0 IJABHN C[C@@]1(O)CCN(CCCc2ccccc2)[C@@H](c2cccs2)[C@@H]1NC(=O)c1ccccc1 ZINC000514290059 556626179 /nfs/dbraw/zinc/62/61/79/556626179.db2.gz XAPUYSKSLJQUSU-KYPHJKQUSA-N 0 3 434.605 4.677 40 0 biogenic,in-vitro IJABHN CCOc1cc(CNC[C@@H](C)O)cc(Br)c1OCc1ccc(Cl)cc1 ZINC000016688426 556626376 /nfs/dbraw/zinc/62/63/76/556626376.db2.gz JVBHQHHPTQPHDI-CYBMUJFWSA-N 0 3 428.754 4.551 40 0 IJABHN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000044855613 556671979 /nfs/dbraw/zinc/67/19/79/556671979.db2.gz XJPNKAZWDHNSLG-GCJKJVERSA-N 0 3 442.987 4.979 40 0 IJABHN CC[C@@H](NC(=O)[C@@H]1CCCN(Cc2ccccc2Cl)C1)c1ccc(OC)c(OC)c1 ZINC000044856774 556672547 /nfs/dbraw/zinc/67/25/47/556672547.db2.gz UTHOPGUKPIFXRX-TZIWHRDSSA-N 0 3 430.976 4.837 40 0 IJABHN c1ccc(COc2ccccc2CN2CCOC[C@@H](Cc3ccc4ncccc4c3)C2)nc1 ZINC000257222348 556707851 /nfs/dbraw/zinc/70/78/51/556707851.db2.gz DSXYWFBYFQCRCP-QHCPKHFHSA-N 0 3 439.559 4.900 40 0 IJABHN C[C@H]1CCCCN1CCNC(=O)C1(Cc2cccc(-c3cccc(F)c3)c2)CCOCC1 ZINC000257268013 556713427 /nfs/dbraw/zinc/71/34/27/556713427.db2.gz MJWLFYSGJZXMTB-NRFANRHFSA-N 0 3 438.587 4.823 40 0 IJABHN c1ccc(COc2cccc(CN3CCOC[C@H](Cc4ccc5ccncc5c4)C3)c2)nc1 ZINC000257291404 556716388 /nfs/dbraw/zinc/71/63/88/556716388.db2.gz QGUJEYADLURDPD-XMMPIXPASA-N 0 3 439.559 4.900 40 0 IJABHN O=C(c1ccccc1CN1CCCC1)N1CCC[C@H](c2cncc(Oc3ccccc3)n2)C1 ZINC000257306286 556717700 /nfs/dbraw/zinc/71/77/00/556717700.db2.gz STQFAKCRLCLBST-QFIPXVFZSA-N 0 3 442.563 4.885 40 0 IJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)c(F)c4)[C@@H]3C2=O)c(C)c1 ZINC000013810647 556743817 /nfs/dbraw/zinc/74/38/17/556743817.db2.gz MJRFWFVTWDACHE-VABKMULXSA-N 0 3 434.442 4.633 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@H]3C2=O)cc1 ZINC000096295819 556759767 /nfs/dbraw/zinc/75/97/67/556759767.db2.gz QBIYPRGFEDEOSX-SDHSZQHLSA-N 0 3 442.515 4.835 40 0 IJABHN COc1ccc([C@H]2CN(C(=O)c3ccccc3)[C@@H]3CCN(Cc4cccc(F)c4)C[C@@H]32)cc1 ZINC000019557724 556799707 /nfs/dbraw/zinc/79/97/07/556799707.db2.gz HZZRHAMWPQNTKU-ZONZVBGPSA-N 0 3 444.550 4.965 40 0 IJABHN COc1ccc(CN2CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC2)c(C)c1C ZINC000019577296 556815384 /nfs/dbraw/zinc/81/53/84/556815384.db2.gz LYTAMNYHFNYZPA-UHFFFAOYSA-N 0 3 447.501 4.659 40 0 IJABHN Cc1[nH]c2ccc(F)cc2c1[C@@H](O)CN1CCC2(CC1)C[C@@H](O)c1cc(Cl)ccc1O2 ZINC000019581406 556819364 /nfs/dbraw/zinc/81/93/64/556819364.db2.gz MQFGQROXBBIDHV-RTWAWAEBSA-N 0 3 444.934 4.653 40 0 IJABHN COc1cccc2cc(CN3CCC[C@@H](c4cc(N(C)C)nc(-c5cccnc5)n4)C3)oc21 ZINC000019584426 556821918 /nfs/dbraw/zinc/82/19/18/556821918.db2.gz IYKJSCOHPZVIDU-HXUWFJFHSA-N 0 3 443.551 4.739 40 0 IJABHN COCC(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(-c3ccc(F)cc3)cc2)C1 ZINC000019592992 556829235 /nfs/dbraw/zinc/82/92/35/556829235.db2.gz ARSCLKAEHBOKHS-YIXXDRMTSA-N 0 3 447.554 4.604 40 0 IJABHN Cn1cc(CN2CCC[C@@H](c3ccc(-c4cccc(C(N)=O)c4)cn3)C2)c2cc(F)ccc21 ZINC000019689287 556844081 /nfs/dbraw/zinc/84/40/81/556844081.db2.gz KXLFUVBSTWAQJE-OAQYLSRUSA-N 0 3 442.538 4.858 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(F)c2)cc1 ZINC000019689993 556845277 /nfs/dbraw/zinc/84/52/77/556845277.db2.gz JQMBYVBIQACGGF-HSZRJFAPSA-N 0 3 433.531 4.644 40 0 IJABHN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN3Cc3cn(C)c4ccccc34)c2)cn1 ZINC000019690925 556846884 /nfs/dbraw/zinc/84/68/84/556846884.db2.gz LUJRBXYPZNCZAE-AREMUKBSSA-N 0 3 439.563 4.640 40 0 IJABHN O=C(CC1CCN(C(=O)CC2CCCCC2)CC1)Nc1ccccc1CN1CCCC1 ZINC000019748196 556892797 /nfs/dbraw/zinc/89/27/97/556892797.db2.gz RZTNPMHNVXNNHL-UHFFFAOYSA-N 0 3 425.617 4.820 40 0 IJABHN COc1ccc2c(c1)N[C@@]1(COC3(C1)CCN(Cc1ccc(C)s1)CC3)c1cccn1-2 ZINC000072327213 556903611 /nfs/dbraw/zinc/90/36/11/556903611.db2.gz AFLMLYHICJSJNX-VWLOTQADSA-N 0 3 435.593 4.932 40 0 IJABHN Cc1cc(CN2CCC[C@H]([C@H](NC(=O)c3cccs3)c3ccccn3)C2)cc(C)c1O ZINC000072330432 556905529 /nfs/dbraw/zinc/90/55/29/556905529.db2.gz FSKZJEKNOIJYHI-REWPJTCUSA-N 0 3 435.593 4.849 40 0 IJABHN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccc3C)c3ccccn3)C2)c1 ZINC000072330486 556905787 /nfs/dbraw/zinc/90/57/87/556905787.db2.gz FMJMGKYZQJTKMJ-GJZUVCINSA-N 0 3 429.564 4.782 40 0 IJABHN Cc1[nH]c2ccc(F)cc2c1CN1CCC[C@@H](c2ncc(C(=O)N3CCCCC3)c(C)n2)C1 ZINC000019763251 556907996 /nfs/dbraw/zinc/90/79/96/556907996.db2.gz MJKVQXXMUROAEK-LJQANCHMSA-N 0 3 449.574 4.720 40 0 IJABHN COc1ccccc1-c1ccc(CN2CCC[C@H]([C@H](NC(C)=O)c3nccs3)C2)cc1 ZINC000072337765 556910812 /nfs/dbraw/zinc/91/08/12/556910812.db2.gz QLGIEBAFAJBLPT-URXFXBBRSA-N 0 3 435.593 4.908 40 0 IJABHN Cc1cccc(CN2C(=O)C(CC(=O)Nc3ccc(F)c(F)c3)n3c4ccccc4nc32)c1 ZINC000019819442 556922496 /nfs/dbraw/zinc/92/24/96/556922496.db2.gz TVCSSWQJMOZQNB-JOCHJYFZSA-N 0 3 446.457 4.740 40 0 IJABHN CCOc1ccc(CN2CCC[C@H](c3cccc(Nc4ncccc4C)n3)C2)cc1CO ZINC000072376107 556954287 /nfs/dbraw/zinc/95/42/87/556954287.db2.gz XJWYLJJQOIVJBW-NRFANRHFSA-N 0 3 432.568 4.799 40 0 IJABHN COc1ccc(NC(=O)CC2C(=O)N(CCC3=CCCCC3)c3nc4ccccc4n32)cc1 ZINC000019962059 556955583 /nfs/dbraw/zinc/95/55/83/556955583.db2.gz QSXMSZUWZPXTOB-QHCPKHFHSA-N 0 3 444.535 4.852 40 0 IJABHN Cc1nc([C@H]2CCCN(C3CCCC3)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 ZINC000072380026 556957308 /nfs/dbraw/zinc/95/73/08/556957308.db2.gz BPEVYGNUUVTJCB-FQEVSTJZSA-N 0 3 436.575 4.568 40 0 IJABHN Cc1nc([C@@H]2CCCN(C3CCCC3)C2)nc2c1CCC(=O)N2CCc1ccc(F)cc1 ZINC000072380025 556957328 /nfs/dbraw/zinc/95/73/28/556957328.db2.gz BPEVYGNUUVTJCB-HXUWFJFHSA-N 0 3 436.575 4.568 40 0 IJABHN O=C(c1sc2ccccc2c1C[C@@H]1CCCCCN1Cc1ccccn1)N1CCOCC1 ZINC000072380095 556957605 /nfs/dbraw/zinc/95/76/05/556957605.db2.gz HRGLJZOKOFXMNX-NRFANRHFSA-N 0 3 449.620 4.756 40 0 IJABHN COc1ccc(CN2CCC[C@@H](c3noc4nc(C)cc(C(F)(F)F)c43)C2)c(OC)c1 ZINC000072390211 556960261 /nfs/dbraw/zinc/96/02/61/556960261.db2.gz VTBOTERQOSZLLX-OAHLLOKOSA-N 0 3 435.446 4.947 40 0 IJABHN CC(C)c1cc(C(=O)NC2CCN(CC3(c4ccc(Cl)cc4)CCC3)CC2)n(C)n1 ZINC000072393399 556964185 /nfs/dbraw/zinc/96/41/85/556964185.db2.gz XWSSONWWYOUEOX-UHFFFAOYSA-N 0 3 429.008 4.513 40 0 IJABHN COc1ccccc1CN1CCC(Cc2ccccc2-c2cccc(F)c2)(C(N)=O)CC1 ZINC000585166458 557128035 /nfs/dbraw/zinc/12/80/35/557128035.db2.gz BCDONJSGWIBMOW-UHFFFAOYSA-N 0 3 432.539 4.812 40 0 IJABHN CCN(CCN(C)C)C(=O)c1cnc(-c2noc3cc(-c4ccc(F)cc4)ccc32)s1 ZINC000096154669 557178694 /nfs/dbraw/zinc/17/86/94/557178694.db2.gz FDCDYTSSYQKXEF-UHFFFAOYSA-N 0 3 438.528 4.781 40 0 IJABHN Cc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C[NH+]4CCCC4)cc3)cc2)cc1 ZINC000010314935 557216114 /nfs/dbraw/zinc/21/61/14/557216114.db2.gz QLQYICOINXGIBR-UHFFFAOYSA-N 0 3 449.576 4.644 40 0 IJABHN CCOC(=O)c1cccc(NC(=O)c2ccc(CN3CCc4ccccc4C3)cc2)c1C ZINC000022913825 557272954 /nfs/dbraw/zinc/27/29/54/557272954.db2.gz MZJYKFCXMOVNLB-UHFFFAOYSA-N 0 3 428.532 4.982 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4cccc(F)c4)[C@H]3C2=O)cc1 ZINC000101224224 557280502 /nfs/dbraw/zinc/28/05/02/557280502.db2.gz WMNHFELYSHGHNV-SMIHKQSGSA-N 0 3 446.478 4.666 40 0 IJABHN O=C1C2ON(c3ccccc3)[C@@H](c3ccc(F)c(F)c3)[C@H]2C(=O)N1c1ccc(Cl)cc1 ZINC000102763038 557307760 /nfs/dbraw/zinc/30/77/60/557307760.db2.gz KRABEFAWQGNOTJ-HKBOAZHASA-N 0 3 440.833 4.669 40 0 IJABHN O=C(NCc1nc(-c2ccccc2Cl)no1)[C@H]1CCCN(Cc2ccccc2Cl)C1 ZINC000222596167 557358407 /nfs/dbraw/zinc/35/84/07/557358407.db2.gz QBDGQFKTBUTSBA-INIZCTEOSA-N 0 3 445.350 4.572 40 0 IJABHN COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2ccc(C)cc2OC)C1 ZINC000072352276 557387135 /nfs/dbraw/zinc/38/71/35/557387135.db2.gz UUJYJTDDRNIUHN-IBGZPJMESA-N 0 3 438.593 4.584 40 0 IJABHN Cc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(F)c(F)c4)[C@H]3C2=O)c(C)c1 ZINC000034259813 557419694 /nfs/dbraw/zinc/41/96/94/557419694.db2.gz MJRFWFVTWDACHE-ZLNRFVROSA-N 0 3 434.442 4.633 40 0 IJABHN O=S(=O)(Cc1ccc(Cl)cc1Cl)NCc1ccccc1CN1CCCCC1 ZINC000224828827 557656205 /nfs/dbraw/zinc/65/62/05/557656205.db2.gz IBCSYNHCELWGNZ-UHFFFAOYSA-N 0 3 427.397 4.599 40 0 IJABHN CC(C)OC(=O)c1ccc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)c(N)c1 ZINC000225440344 557723019 /nfs/dbraw/zinc/72/30/19/557723019.db2.gz GAZFQOPTNHDHOE-UHFFFAOYSA-N 0 3 429.564 4.746 40 0 IJABHN CNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2ccc(Oc3ncccn3)cc2)C1 ZINC000257238950 568683530 /nfs/dbraw/zinc/68/35/30/568683530.db2.gz HNFNZWTXTAACNP-GOSISDBHSA-N 0 3 444.560 4.833 40 0 IJABHN COc1cc2c(cc1CN1CCC(c3cncc(Nc4nc(C)cc(C)n4)n3)CC1)CCC2 ZINC000257243829 568685556 /nfs/dbraw/zinc/68/55/56/568685556.db2.gz IISSTEMEXLCJNK-UHFFFAOYSA-N 0 3 444.583 4.504 40 0 IJABHN Cc1nc([C@@H]2CCN(Cc3cccc(F)c3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257260009 568692968 /nfs/dbraw/zinc/69/29/68/568692968.db2.gz LAZDUVPCSLEOGC-LJQANCHMSA-N 0 3 436.506 4.542 40 0 IJABHN COc1ccccc1CC(=O)N[C@@H](c1ccccn1)[C@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000257312921 568716921 /nfs/dbraw/zinc/71/69/21/568716921.db2.gz UQESDCXLRAISCI-WXVAWEFUSA-N 0 3 447.554 4.542 40 0 IJABHN O=C(c1ccc2c(c1)OCO2)N(c1ccccc1)C1CCN(CCc2ccccc2)CC1 ZINC000585662410 568783468 /nfs/dbraw/zinc/78/34/68/568783468.db2.gz ZFAAZMIOHJNKGD-UHFFFAOYSA-N 0 3 428.532 4.769 40 0 in-vitro IJABHN O=C(NCCc1ccccc1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2)CC1 ZINC000009062810 569219666 /nfs/dbraw/zinc/21/96/66/569219666.db2.gz BHPBREDVFKXMHL-UHFFFAOYSA-N 0 3 441.575 4.510 40 0 IJABHN CCOC(=O)c1c(NC(=O)C2CCN(Cc3cccc(C)c3)CC2)sc2c1CCCC2 ZINC000009063047 569219778 /nfs/dbraw/zinc/21/97/78/569219778.db2.gz UWQIENNXUSASCP-UHFFFAOYSA-N 0 3 440.609 4.963 40 0 IJABHN COc1ccccc1C(=O)N[C@@H](c1ccccn1)[C@@H]1CCCN(Cc2cccc(C)c2)C1 ZINC000019234966 569226033 /nfs/dbraw/zinc/22/60/33/569226033.db2.gz BSULTUGJESCVLW-ATIYNZHBSA-N 0 3 429.564 4.782 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000019235955 569226043 /nfs/dbraw/zinc/22/60/43/569226043.db2.gz KCQUFYKEMYKCRU-AUSIDOKSSA-N 0 3 435.593 4.843 40 0 IJABHN COc1c(C)cccc1CN1CCC[C@H]([C@@H](NC(=O)c2cccs2)c2ccccn2)C1 ZINC000019235956 569226166 /nfs/dbraw/zinc/22/61/66/569226166.db2.gz KCQUFYKEMYKCRU-WMZHIEFXSA-N 0 3 435.593 4.843 40 0 IJABHN CC(C)[N@@H+]1CCc2c(nc([C@H]3CCCN3C(=O)[C@H](c3ccccc3)C3CCCC3)[n-]c2=O)C1 ZINC000019448379 569226555 /nfs/dbraw/zinc/22/65/55/569226555.db2.gz QLOBMSMQOHMTDO-DNQXCXABSA-N 0 3 448.611 4.586 40 0 IJABHN CC(C)[N@H+]1CCc2c(nc([C@H]3CCCN3C(=O)[C@H](c3ccccc3)C3CCCC3)[n-]c2=O)C1 ZINC000019448379 569226556 /nfs/dbraw/zinc/22/65/56/569226556.db2.gz QLOBMSMQOHMTDO-DNQXCXABSA-N 0 3 448.611 4.586 40 0 IJABHN CN(C)c1nc2ccccc2cc1CN1CC[C@@H](c2cc(COc3ccccc3F)[nH]n2)C1 ZINC000019704711 569233655 /nfs/dbraw/zinc/23/36/55/569233655.db2.gz CIBSDLCRSBRJRB-LJQANCHMSA-N 0 3 445.542 4.732 40 0 IJABHN Cc1nc2ccccn2c1CN1CC[C@]2(C)[C@H]1CCCCC(=O)N2Cc1ccc(F)cc1 ZINC000019713404 569235600 /nfs/dbraw/zinc/23/56/00/569235600.db2.gz FZRJCUXABZQREB-ZEQKJWHPSA-N 0 3 434.559 4.718 40 0 IJABHN Cc1nc([C@H]2CCN(Cc3ccc4ncccc4c3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019757852 569237211 /nfs/dbraw/zinc/23/72/11/569237211.db2.gz QOFRMZSZEVBUNP-FQEVSTJZSA-N 0 3 441.510 4.714 40 0 IJABHN Cc1nc([C@H]2CCN(Cc3ccc(OC(C)C)cc3)C2)ncc1C(=O)Nc1ccccc1F ZINC000019758027 569237400 /nfs/dbraw/zinc/23/74/00/569237400.db2.gz DHLNOWXSJPQSLI-FQEVSTJZSA-N 0 3 448.542 4.953 40 0 IJABHN CCn1cc(CN2CCC[C@@H](c3ncc(C(=O)N4CCCC4)c(C)n3)C2)c2ccc(F)cc21 ZINC000019762973 569237832 /nfs/dbraw/zinc/23/78/32/569237832.db2.gz XKNDSFIABMYRCR-LJQANCHMSA-N 0 3 449.574 4.514 40 0 IJABHN COc1ccc(CN2C(=O)CCCC[C@@H]3[C@@H]2CCN3Cc2c[nH]nc2-c2ccccc2)cc1 ZINC000019713836 569327837 /nfs/dbraw/zinc/32/78/37/569327837.db2.gz XIKLEFRNWJWHGC-RPBOFIJWSA-N 0 3 444.579 4.631 40 0 IJABHN COc1cc(CNC(C)(C)CO)cc(Br)c1OCc1ccccc1Cl ZINC000022074128 522439866 /nfs/dbraw/zinc/43/98/66/522439866.db2.gz NRJPJDMGWPUPKB-UHFFFAOYSA-N 0 3 428.754 4.551 40 0 IJABHN COc1cc(CNC[C@H]2CCCO2)cc(Br)c1OCc1ccccc1Cl ZINC000016195760 556590164 /nfs/dbraw/zinc/59/01/64/556590164.db2.gz VVJXDHFPJXOTOL-MRXNPFEDSA-N 0 3 440.765 4.959 40 0 IJABHN Cc1ccc(Cl)cc1N1CCN(C(=O)[C@H]2CCCN(Cc3ccccc3Cl)C2)CC1 ZINC000038857151 556625799 /nfs/dbraw/zinc/62/57/99/556625799.db2.gz AXERMQSZKCNARK-FQEVSTJZSA-N 0 3 446.422 4.863 40 0 IJABHN CC(C)(C)CC(=O)N[C@H]1[C@H](c2cccs2)N(CCCc2ccccc2)CC[C@@]1(C)O ZINC000514290079 556626164 /nfs/dbraw/zinc/62/61/64/556626164.db2.gz YCLODIIJRHVKEP-SONWIMMPSA-N 0 3 428.642 4.800 40 0 biogenic,in-vitro IJABHN COc1cccc([C@H]2[C@@H]3C(=O)N(c4cccc(Cl)c4C)C(=O)C3ON2c2ccccc2)c1 ZINC000101096889 556666491 /nfs/dbraw/zinc/66/64/91/556666491.db2.gz WTGWVVNWSIZOJE-VABKMULXSA-N 0 3 448.906 4.708 40 0 IJABHN c1cnc(Oc2cccc(CN3CCOC[C@H](Cc4ccc5ncccc5c4)C3)c2)nc1 ZINC000257339034 556706800 /nfs/dbraw/zinc/70/68/00/556706800.db2.gz YZXRILIUYILXCQ-JOCHJYFZSA-N 0 3 426.520 4.508 40 0 IJABHN O=C(Cc1ccc(F)cc1)N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccc(F)cc2)C1 ZINC000257223907 556708258 /nfs/dbraw/zinc/70/82/58/556708258.db2.gz DZKJCPJXMYSFBE-RLWLMLJZSA-N 0 3 435.518 4.672 40 0 IJABHN COc1ccccc1-c1ccccc1CN1CCOC[C@H](Cc2cccn3nccc23)C1 ZINC000257235900 556709753 /nfs/dbraw/zinc/70/97/53/556709753.db2.gz HAAAGTQHCXWFBU-OAQYLSRUSA-N 0 3 427.548 4.701 40 0 IJABHN O=C(c1ccccc1CN1CCCC1)N1CCC2(CO[C@H](Cc3cccc(F)c3)C2)CC1 ZINC000257241046 556710352 /nfs/dbraw/zinc/71/03/52/556710352.db2.gz HWJUBVJRFCKZKK-XMMPIXPASA-N 0 3 436.571 4.676 40 0 IJABHN CN1C(=O)C2(C[C@H]1Cc1ccccc1)CCN(Cc1ccccc1N1CCCCC1)CC2 ZINC000257256907 556712338 /nfs/dbraw/zinc/71/23/38/556712338.db2.gz KNJGYZGRKAKFCZ-RUZDIDTESA-N 0 3 431.624 4.733 40 0 IJABHN COc1ccc(CN2CCC[C@H]([C@@H](NC(=O)c3ccccc3C)c3ccccn3)C2)cc1 ZINC000019236823 556721453 /nfs/dbraw/zinc/72/14/53/556721453.db2.gz WCILFSWZHNERAL-BKMJKUGQSA-N 0 3 429.564 4.782 40 0 IJABHN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccc3C)c3ccccn3)C2)c1 ZINC000019236828 556721548 /nfs/dbraw/zinc/72/15/48/556721548.db2.gz FMJMGKYZQJTKMJ-ATIYNZHBSA-N 0 3 429.564 4.782 40 0 IJABHN COc1ccc(CN2CCC([C@H](NC(=O)c3ccccc3C)c3ccccn3)CC2)cc1 ZINC000019236863 556721554 /nfs/dbraw/zinc/72/15/54/556721554.db2.gz UZASKQGDTFYXDG-SANMLTNESA-N 0 3 429.564 4.782 40 0 IJABHN Cn1cc([C@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)c2ccccc21 ZINC000019290371 556730633 /nfs/dbraw/zinc/73/06/33/556730633.db2.gz IDRXPKCDOQGFRD-CLJLJLNGSA-N 0 3 442.559 4.716 40 0 IJABHN O[C@H](CN1CCC2(CC1)C[C@@H](O)c1cc(F)ccc1O2)c1ccc(-c2ccccc2)cc1 ZINC000019374116 556750593 /nfs/dbraw/zinc/75/05/93/556750593.db2.gz IBBIIRIHQGVBQY-JWQCQUIFSA-N 0 3 433.523 4.877 40 0 IJABHN O[C@@H](CN1CCC2(CC1)C[C@H](O)c1ccc3ccccc3c1O2)c1ccc2c(c1)CCC2 ZINC000019376349 556752139 /nfs/dbraw/zinc/75/21/39/556752139.db2.gz IXOPVFKDFGNEIV-UIOOFZCWSA-N 0 3 429.560 4.713 40 0 IJABHN C[C@@H]1Cc2cc(CN3CCC([C@H](NC(=O)c4cccs4)c4ccccn4)CC3)ccc2O1 ZINC000019498179 556770529 /nfs/dbraw/zinc/77/05/29/556770529.db2.gz USYBJAWRWPWPSO-CJAUYULYSA-N 0 3 447.604 4.850 40 0 IJABHN CCOc1cc(CN2CC[C@@H](c3cc4nc(CC)cc(C(F)(F)F)n4n3)C2)ccc1OC ZINC000019522417 556779624 /nfs/dbraw/zinc/77/96/24/556779624.db2.gz QZKBBFPVPLEEMK-MRXNPFEDSA-N 0 3 448.489 4.707 40 0 IJABHN CCn1cc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(Cl)ccc2O3)c2ccccc21 ZINC000019524764 556782085 /nfs/dbraw/zinc/78/20/85/556782085.db2.gz UCMXEHYGSBTWKO-XZOQPEGZSA-N 0 3 440.971 4.699 40 0 IJABHN CCn1cc([C@H](O)CN2CCC3(CC2)C[C@H](O)c2cc(C)c(C)cc2O3)c2ccccc21 ZINC000019524760 556782131 /nfs/dbraw/zinc/78/21/31/556782131.db2.gz KEPPBOCTQJOAGO-LOSJGSFVSA-N 0 3 434.580 4.662 40 0 IJABHN CCOc1ccc([C@@H](O)CN2CCC3(CC2)C[C@@H](O)c2ccc4ccccc4c2O3)cc1 ZINC000019532683 556792856 /nfs/dbraw/zinc/79/28/56/556792856.db2.gz SZQVTLMFASBLMX-RPBOFIJWSA-N 0 3 433.548 4.623 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC[C@H](c3nc(N)ncc3-c3ccc(Cl)cc3)C2)cc1 ZINC000072346168 556917433 /nfs/dbraw/zinc/91/74/33/556917433.db2.gz XKBLIBUTYZDCJE-IBGZPJMESA-N 0 3 435.959 4.717 40 0 IJABHN CC(=O)N1CCC(N2CCC[C@@H]2c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1 ZINC000072358198 556931797 /nfs/dbraw/zinc/93/17/97/556931797.db2.gz UZQONRZTLUXDFI-HSZRJFAPSA-N 0 3 431.502 4.839 40 0 IJABHN CC(=O)Nc1ccc(CN2CCC([C@@H]3CCCCN(CCc4ccccc4)C3=O)CC2)cc1 ZINC000072372033 556941622 /nfs/dbraw/zinc/94/16/22/556941622.db2.gz BGWWDXRHYWIBED-MHZLTWQESA-N 0 3 447.623 4.728 40 0 IJABHN CC(C)c1ncc(-c2ccncc2)c([C@H]2CC[C@H](CNC(=O)[C@H](C)N3CCCC3)CC2)n1 ZINC000257268842 556990572 /nfs/dbraw/zinc/99/05/72/556990572.db2.gz MNLIKWHFIYKJCQ-ONTIZHBOSA-N 0 3 435.616 4.536 40 0 IJABHN O=C(Cc1cc(F)cc(F)c1)N1CCC[C@]2(CCCN2Cc2cc(F)ccc2F)CC1 ZINC000585100410 557034025 /nfs/dbraw/zinc/03/40/25/557034025.db2.gz RGVFQYUHCKFYKK-DEOSSOPVSA-N 0 3 434.477 4.833 40 0 IJABHN COc1ccc(CN2CCC3(CC2)C[C@H](CC(=O)NC2CCC2)c2ccccc2O3)cc1 ZINC000096053391 557166880 /nfs/dbraw/zinc/16/68/80/557166880.db2.gz BOZZERJYSNTJLY-NRFANRHFSA-N 0 3 434.580 4.655 40 0 IJABHN O=C1CCC[C@]2(CN(Cc3ccccc3N3CCCCC3)C[C@H]2c2ccc(F)c(F)c2)N1 ZINC000585261700 557196366 /nfs/dbraw/zinc/19/63/66/557196366.db2.gz SJNYFFKWFRQQQH-HFZDXXHNSA-N 0 3 439.550 4.593 40 0 IJABHN CC(=O)N1Cc2ccccc2O[C@H](C2CCN(Cc3ccc(OC(F)(F)F)cc3)CC2)C1 ZINC000057773773 557263373 /nfs/dbraw/zinc/26/33/73/557263373.db2.gz VFNLPSGPYHIUKZ-QHCPKHFHSA-N 0 3 448.485 4.607 40 0 IJABHN COc1ccccc1CN1CCC[C@](Cc2cc(-c3ccc(C)cc3)no2)(C(=O)N(C)C)C1 ZINC000057775186 557265085 /nfs/dbraw/zinc/26/50/85/557265085.db2.gz XYPSIBIADZQHQS-HHHXNRCGSA-N 0 3 447.579 4.572 40 0 IJABHN CC(C)(C)OC(=O)N1CCN(c2ncccc2[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC000072216488 557342856 /nfs/dbraw/zinc/34/28/56/557342856.db2.gz UFYVVWLUODGGAV-QHCPKHFHSA-N 0 3 436.600 4.866 40 0 IJABHN Cc1cccc(-c2noc(CN(C)C(=O)[C@@H]3CCCN(Cc4ccccc4Cl)C3)n2)c1 ZINC000222596745 557358453 /nfs/dbraw/zinc/35/84/53/557358453.db2.gz BWFGYIJSJYMQRA-HXUWFJFHSA-N 0 3 438.959 4.569 40 0 IJABHN CN1CCC(Oc2ccc(NC(=O)[C@H]3CCCN(Cc4ccccc4Cl)C3)cc2)CC1 ZINC000222597785 557358923 /nfs/dbraw/zinc/35/89/23/557358923.db2.gz RYTIYMOHYSVYKZ-FQEVSTJZSA-N 0 3 442.003 4.664 40 0 IJABHN CCNC(=O)C1(Cc2ccc(-c3ccccc3F)cc2)CCN(Cc2cccnc2)CC1 ZINC000072345203 557377409 /nfs/dbraw/zinc/37/74/09/557377409.db2.gz XBLWIONSGSYPJW-UHFFFAOYSA-N 0 3 431.555 4.849 40 0 IJABHN CN(C)CCN1C(=S)N[C@H](c2ccccn2)[C@@H]1c1ccc(-c2ccc(Cl)cc2)o1 ZINC000223283402 557455537 /nfs/dbraw/zinc/45/55/37/557455537.db2.gz YGCVEORDMDSQRL-RTWAWAEBSA-N 0 3 426.973 4.529 40 0 IJABHN CCOc1cc(CNCCOC)cc(Br)c1OCc1ccccc1Cl ZINC000016688665 557475459 /nfs/dbraw/zinc/47/54/59/557475459.db2.gz WQMMWVRGTYNPTQ-UHFFFAOYSA-N 0 3 428.754 4.816 40 0 IJABHN CCn1c2ccc(NC(=O)c3ccc(CN4CCc5ccccc5C4)cc3)cc2sc1=O ZINC000225076576 557685490 /nfs/dbraw/zinc/68/54/90/557685490.db2.gz PSMFZIAROJNCEK-UHFFFAOYSA-N 0 3 443.572 4.894 40 0 IJABHN Cc1ccc(C2(C(=O)Nc3ccc(OCCN4CCC(C)CC4)cc3)CCOCC2)cc1 ZINC000225568988 557744105 /nfs/dbraw/zinc/74/41/05/557744105.db2.gz QRBQOQCYBNUTOG-UHFFFAOYSA-N 0 3 436.596 4.793 40 0 IJABHN O=C(Nc1ccc(OCCN2CCCCC2)cc1)C1(c2ccc(Cl)cc2)CCOCC1 ZINC000225579629 557746326 /nfs/dbraw/zinc/74/63/26/557746326.db2.gz FUKDEEWBKWVLNX-UHFFFAOYSA-N 0 3 442.987 4.892 40 0 IJABHN CCOc1cccc2c1OC(C)(C)[C@H]1CC3(CCN(Cc4ccnc(C)n4)CC3)CO[C@H]21 ZINC000257206175 568667883 /nfs/dbraw/zinc/66/78/83/568667883.db2.gz BCENOTOJOGDSLX-JTHBVZDNSA-N 0 3 437.584 4.715 40 0 IJABHN c1ccc2ncc(C[C@H]3COCCN(Cc4ccccc4OCc4cccnc4)C3)cc2c1 ZINC000257247780 568687261 /nfs/dbraw/zinc/68/72/61/568687261.db2.gz JALVGRXCLHCDBB-XMMPIXPASA-N 0 3 439.559 4.900 40 0 IJABHN COc1cc2c(cc1CN1CCC(c3ccc(-c4cccc(C(N)=O)c4)cn3)CC1)CCC2 ZINC000257267597 568696533 /nfs/dbraw/zinc/69/65/33/568696533.db2.gz MHZZYMQAAGCKDF-UHFFFAOYSA-N 0 3 441.575 4.724 40 0 IJABHN Cc1nc2cc([C@H]3CCCN3CC3CCCCC3)nn2c(C)c1CCC(=O)NC(C)C ZINC000257281614 568702654 /nfs/dbraw/zinc/70/26/54/568702654.db2.gz OQDCCLDXGAWFJK-HSZRJFAPSA-N 0 3 425.621 4.521 40 0 IJABHN CN(C(=O)c1c[nH]nc1[C@@H]1CCCN(Cc2ccnc3ccccc23)C1)C1CCCCC1 ZINC000257295615 568709351 /nfs/dbraw/zinc/70/93/51/568709351.db2.gz QZEBGQFXRGOIOZ-HXUWFJFHSA-N 0 3 431.584 4.742 40 0 IJABHN CCCC(=O)N[C@H]1C(C)(C)[C@@H]2C[C@@H]3[C@@H](c4cc(CN(C)C)ccc4OC)OCC[C@@]31C2 ZINC000257308886 568715121 /nfs/dbraw/zinc/71/51/21/568715121.db2.gz TYPMDLSHGLLHJT-MFLQQMQESA-N 0 3 428.617 4.556 40 0 IJABHN Cc1ccc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)c4cnn5cc(C)cnc45)C3)c2)cc1 ZINC000257310647 568715726 /nfs/dbraw/zinc/71/57/26/568715726.db2.gz UFYMONPBXJRUEH-HXUWFJFHSA-N 0 3 440.551 4.813 40 0 IJABHN CN1CCC(Cc2ccccc2)(C(=O)N2CCC[C@@H](Cc3cccc4n[nH]cc43)CC2)CC1 ZINC000257312266 568716505 /nfs/dbraw/zinc/71/65/05/568716505.db2.gz UNCLZWOPLJLKQP-JOCHJYFZSA-N 0 3 444.623 4.689 40 0 IJABHN c1ccc(O[C@H]2CO[C@]3(C2)CCCN(Cc2ccccc2OCc2ccccn2)C3)cc1 ZINC000257323997 568721883 /nfs/dbraw/zinc/72/18/83/568721883.db2.gz WMTBQRSMPAMSSX-VPUSJEBWSA-N 0 3 430.548 4.863 40 0 IJABHN O=C(c1cnc2cc(Cl)ccc2c1[O-])N1CCCC2=C[C@H]3C[C@H](C[N@@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198795 568921652 /nfs/dbraw/zinc/92/16/52/568921652.db2.gz IKNIRVYOYACPMV-VQDLLJBESA-N 0 3 437.971 4.629 40 0 IJABHN O=C(c1cnc2cc(Cl)ccc2c1[O-])N1CCCC2=C[C@H]3C[C@H](C[N@H+]4CCCC[C@@H]34)[C@@H]21 ZINC000257198795 568921654 /nfs/dbraw/zinc/92/16/54/568921654.db2.gz IKNIRVYOYACPMV-VQDLLJBESA-N 0 3 437.971 4.629 40 0 IJABHN CC(C)c1ccc(CN2CC[C@H](c3c4cccnc4sc3C(=O)N3CCOCC3)C2)cc1 ZINC000019702159 569231745 /nfs/dbraw/zinc/23/17/45/569231745.db2.gz DSRYVAIHGJFQFK-NRFANRHFSA-N 0 3 449.620 4.882 40 0 IJABHN C/C(=C\c1ccccc1)CN1CC[C@@H](c2c3cccnc3sc2C(=O)N2CCOCC2)C1 ZINC000019702142 569231851 /nfs/dbraw/zinc/23/18/51/569231851.db2.gz XIAAXDPECHWDHX-WEIUTZTHSA-N 0 3 447.604 4.662 40 0 IJABHN Cc1nc(C2CCN(Cc3ccnc4ccccc34)CC2)ncc1C(=O)Nc1ccccc1 ZINC000019764212 569238328 /nfs/dbraw/zinc/23/83/28/569238328.db2.gz NRKDUSVHBHMKBF-UHFFFAOYSA-N 0 3 437.547 4.965 40 0 IJABHN CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(Cl)cc4)C(=O)C3ON2c2ccccc2)cc1 ZINC000017966964 569282732 /nfs/dbraw/zinc/28/27/32/569282732.db2.gz GIVHQZBGYVLNFQ-VJBWXMMDSA-N 0 3 448.906 4.790 40 0 IJABHN Cc1cc(C)c(N2C(=O)C3ON(c4ccccc4)[C@@H](c4ccc(F)cc4)[C@H]3C2=O)c(C)c1 ZINC000018066259 569284693 /nfs/dbraw/zinc/28/46/93/569284693.db2.gz MWQRUOLFFTVKCY-NHTMILBNSA-N 0 3 430.479 4.802 40 0 IJABHN COc1ccc([C@H]2N(c3ccccc3)OC3C(=O)N(c4cccc(Cl)c4)C(=O)[C@]32C)cc1 ZINC000009380384 569295988 /nfs/dbraw/zinc/29/59/88/569295988.db2.gz MVXQDENMQVYYIK-RQTOMXEWSA-N 0 3 448.906 4.790 40 0 IJABHN CCCOc1ccc(N2C(=O)C3ON(c4ccccc4)[C@H](c4ccc(C)cc4)[C@@H]3C2=O)cc1 ZINC000009470601 569296650 /nfs/dbraw/zinc/29/66/50/569296650.db2.gz QBIYPRGFEDEOSX-GVAUOCQISA-N 0 3 442.515 4.835 40 0 IJABHN CCOc1ccc(CN2CCC(Cc3ncncc3C(=O)Nc3ccc(F)cc3)CC2)cc1 ZINC000019756998 569328742 /nfs/dbraw/zinc/32/87/42/569328742.db2.gz VTRNPWZSWLRTEQ-UHFFFAOYSA-N 0 3 448.542 4.721 40 0 IJABHN