smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1cc(OC)c(OC)cc1NS(=O)(=O)c1ccc(Oc2ccccc2)cc1 ZINC000020456400 521902540 /nfs/dbraw/zinc/90/25/40/521902540.db2.gz ULTFLSJBONOOPG-UHFFFAOYSA-N 0 1 443.477 4.084 40 0 IIABMN COCCNc1ncccc1-c1noc([C@@H]2CCCN2Cc2cn(C)c3ccccc23)n1 ZINC000035424933 523967020 /nfs/dbraw/zinc/96/70/20/523967020.db2.gz AMKWUEHBQZRZDR-NRFANRHFSA-N 0 1 432.528 4.019 40 0 biogenic,in-vitro IIABMN COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2C)c1 ZINC000408548484 555807436 /nfs/dbraw/zinc/80/74/36/555807436.db2.gz SOUIYFBLGRHERA-UHFFFAOYSA-N 0 1 444.940 4.388 40 0 IIABMN CCCCOc1ccc(C(=O)N2CC[NH+]([C@@H](CCC(=O)[O-])c3ccc(F)cc3)CC2)cc1 ZINC000408613033 555978089 /nfs/dbraw/zinc/97/80/89/555978089.db2.gz WNZFCUDXXBORMK-QHCPKHFHSA-N 0 1 442.531 4.369 40 0 IIABMN COc1ccc(C)cc1S(=O)(=O)Nc1ccc2sc(C(=O)N3CCCC3)cc2c1 ZINC000408713017 556124718 /nfs/dbraw/zinc/12/47/18/556124718.db2.gz GOBVMECWHQMOBO-UHFFFAOYSA-N 0 1 430.551 4.255 40 0 IIABMN O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000039742802 556437997 /nfs/dbraw/zinc/43/79/97/556437997.db2.gz CNCLPIDGGJEVGR-UHFFFAOYSA-N 0 1 425.960 4.427 40 0 IIABMN C[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000038754720 556617287 /nfs/dbraw/zinc/61/72/87/556617287.db2.gz TULRLUAUXRKZBA-INIZCTEOSA-N 0 1 427.551 4.143 40 0 IIABMN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000044884255 556675032 /nfs/dbraw/zinc/67/50/32/556675032.db2.gz FOUSUVLYONHNBJ-KRWDZBQOSA-N 0 1 447.516 4.442 40 0 IIABMN O=C(CC1CCCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019014727 556691860 /nfs/dbraw/zinc/69/18/60/556691860.db2.gz VYKBLEKZNOKEIC-LJQANCHMSA-N 0 1 426.605 4.159 40 0 IIABMN CC(=O)NC1(c2ccccc2F)CCN(Cc2ccccc2OC[C@H]2CCCO2)CC1 ZINC000019021148 556693653 /nfs/dbraw/zinc/69/36/53/556693653.db2.gz FZKHZMGFNAYDHZ-OAQYLSRUSA-N 0 1 426.532 4.011 40 0 IIABMN Cc1cccc(-c2cccc(C[C@]3(C(N)=O)CCCN(C(=O)c4cc(C(C)C)[nH]n4)C3)c2)c1 ZINC000019235438 556719963 /nfs/dbraw/zinc/71/99/63/556719963.db2.gz MQZZYEPTKIVKDT-HHHXNRCGSA-N 0 1 444.579 4.459 40 0 IIABMN Cc1cccc2c1[nH]c([C@H]1CCCN(C(=O)[C@H](C)CN3CCOCC3)C1)c2-c1ccncc1 ZINC000019236510 556721281 /nfs/dbraw/zinc/72/12/81/556721281.db2.gz USHNZPHAQUHSDY-IRLDBZIGSA-N 0 1 446.595 4.213 40 0 IIABMN CC(C)Cc1cc(C(=O)N2CC[C@@H](c3cc4nc(C(C)C)cc(C(F)(F)F)n4n3)C2)n[nH]1 ZINC000019447385 556756625 /nfs/dbraw/zinc/75/66/25/556756625.db2.gz NFHXWDWAIBGPNX-CQSZACIVSA-N 0 1 448.493 4.423 40 0 IIABMN CC(C)Nc1ncc(-c2ccncc2)c(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)n1 ZINC000019451755 556762502 /nfs/dbraw/zinc/76/25/02/556762502.db2.gz IKZHZRXPBLMDAX-UHFFFAOYSA-N 0 1 433.560 4.225 40 0 IIABMN CC(C)c1cc(C(=O)N2CCC[C@](Cc3cccc(-c4cccc(F)c4)c3)(C(N)=O)C2)n[nH]1 ZINC000019451777 556762723 /nfs/dbraw/zinc/76/27/23/556762723.db2.gz JCSTUXJCQBCPCC-AREMUKBSSA-N 0 1 448.542 4.290 40 0 IIABMN C[C@@H]1CCC[C@@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)c2nccc3ccccc32)CC1 ZINC000019496071 556768632 /nfs/dbraw/zinc/76/86/32/556768632.db2.gz PZMOLIPGAWAHSF-QZTJIDSGSA-N 0 1 445.567 4.381 40 0 IIABMN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCCCC4)[n-]c(=O)c3C2)CC1 ZINC000019495983 556768820 /nfs/dbraw/zinc/76/88/20/556768820.db2.gz PKXMERRELUUPNN-RKOYOZNISA-N 0 1 426.605 4.363 40 0 IIABMN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)C4CCCCC4)[n-]c(=O)c3C2)CC1 ZINC000019495983 556768826 /nfs/dbraw/zinc/76/88/26/556768826.db2.gz PKXMERRELUUPNN-RKOYOZNISA-N 0 1 426.605 4.363 40 0 IIABMN COc1ccc(C(=O)N2C[C@H]3CCCN(Cc4ccc(OC(F)F)c(OC)c4)[C@H]3C2)cc1 ZINC000019553159 556796989 /nfs/dbraw/zinc/79/69/89/556796989.db2.gz FDDXBKQMNVSXLS-QUCCMNQESA-N 0 1 446.494 4.042 40 0 IIABMN COc1ccc(CN2CCC(O)(c3ccccc3OC)CC2)cc1Cc1c(C)noc1C ZINC000019581015 556819383 /nfs/dbraw/zinc/81/93/83/556819383.db2.gz BTNJIQQBDWYLQW-UHFFFAOYSA-N 0 1 436.552 4.383 40 0 IIABMN COCCc1ncc(CN2CCC(c3cc(Cc4ccccc4OC)cc(C)n3)CC2)cn1 ZINC000019691734 556847470 /nfs/dbraw/zinc/84/74/70/556847470.db2.gz UDKKFNYNSWMGFH-UHFFFAOYSA-N 0 1 446.595 4.348 40 0 IIABMN O=C(c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1)N1CCc2ccccc2C1 ZINC000408868477 556874120 /nfs/dbraw/zinc/87/41/20/556874120.db2.gz MRCOCIULDNCMHY-UHFFFAOYSA-N 0 1 425.576 4.203 40 0 IIABMN O=C(NCCO)c1cc([C@@H]2CCN(Cc3cccc(Cl)c3Cl)C2)nc2ccccc21 ZINC000019761881 556905664 /nfs/dbraw/zinc/90/56/64/556905664.db2.gz IJJPUBDYKFRTIC-OAHLLOKOSA-N 0 1 444.362 4.253 40 0 IIABMN COCCc1ncc(CN2CCC[C@@H](c3cc(Cc4cccc(F)c4)cc(C)n3)C2)cn1 ZINC000072354236 556929636 /nfs/dbraw/zinc/92/96/36/556929636.db2.gz DORATSJMDJICSV-HSZRJFAPSA-N 0 1 434.559 4.478 40 0 IIABMN CN(C)c1cccc(C(=O)N2CC[C@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)c1 ZINC000072371347 556938293 /nfs/dbraw/zinc/93/82/93/556938293.db2.gz RJXPHENDCULSAE-KRWDZBQOSA-N 0 1 440.494 4.005 40 0 IIABMN Cc1noc(C)c1CC(=O)N1CCC[C@@H](c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)C1 ZINC000072375019 556950027 /nfs/dbraw/zinc/95/00/27/556950027.db2.gz HBKCBZYQDCUIHS-LJQANCHMSA-N 0 1 434.544 4.094 40 0 IIABMN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1 ZINC000072375013 556950051 /nfs/dbraw/zinc/95/00/51/556950051.db2.gz ZROXHWVWKJNUHQ-GOSISDBHSA-N 0 1 435.503 4.238 40 0 IIABMN CC(=O)NC1(CC(=O)N2CCC[C@H](c3cc(Nc4ccccn4)cc(C)n3)C2)CCCCC1 ZINC000072375064 556950468 /nfs/dbraw/zinc/95/04/68/556950468.db2.gz PUPBAQMLIGYBOD-NRFANRHFSA-N 0 1 449.599 4.464 40 0 IIABMN Cc1nc(C2CCN(Cc3ccncc3)CC2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000072380038 556957315 /nfs/dbraw/zinc/95/73/15/556957315.db2.gz YARAULYGVQTEOQ-UHFFFAOYSA-N 0 1 445.542 4.178 40 0 IIABMN Nc1[nH]nc2nc([C@H]3CCCCN3C(=O)CCc3ccc(F)cc3)cc(C(F)(F)F)c12 ZINC000072380234 556958121 /nfs/dbraw/zinc/95/81/21/556958121.db2.gz ZNMDTOUSVDSKKS-MRXNPFEDSA-N 0 1 435.425 4.384 40 0 IIABMN Cc1nc2cc([C@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000257310167 557003756 /nfs/dbraw/zinc/00/37/56/557003756.db2.gz UDYHQPIBEFZRHE-WIYYLYMNSA-N 0 1 445.558 4.153 40 0 IIABMN O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1ccccc1Cl ZINC000038177786 557205287 /nfs/dbraw/zinc/20/52/87/557205287.db2.gz FXODIMFZUYEIIR-UHFFFAOYSA-N 0 1 439.722 4.324 40 0 IIABMN Cc1ncsc1CCOc1ccc(CN2C[C@H](O)[C@@H](Oc3cccc(Cl)c3)C2)cc1 ZINC000585268813 557209815 /nfs/dbraw/zinc/20/98/15/557209815.db2.gz KLRNRGXAGLFQEN-VXKWHMMOSA-N 0 1 444.984 4.351 40 0 IIABMN O=C(NCc1nc(-c2ccc(Cl)cc2)no1)C1CCN(Cc2ccccc2F)CC1 ZINC000219424585 557244556 /nfs/dbraw/zinc/24/45/56/557244556.db2.gz QVIVIPGGZBWLDP-UHFFFAOYSA-N 0 1 428.895 4.058 40 0 IIABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000136132428 557459588 /nfs/dbraw/zinc/45/95/88/557459588.db2.gz PUCZXUVHKHVZFL-KMDXXIMOSA-N 0 1 444.487 4.063 40 0 IIABMN Cn1c2cc(Cl)c(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)cc2oc1=O ZINC000223345927 557460792 /nfs/dbraw/zinc/46/07/92/557460792.db2.gz HGEJBCCQGQYULN-UHFFFAOYSA-N 0 1 444.896 4.165 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2)cc1 ZINC000224560461 557623437 /nfs/dbraw/zinc/62/34/37/557623437.db2.gz SUVNFSMLRCCETD-KRWDZBQOSA-N 0 1 440.521 4.210 40 0 IIABMN O=C(Nc1nnc(S(=O)(=O)Nc2ccccc2F)s1)c1ccc(Cl)cc1Cl ZINC000225521908 557735093 /nfs/dbraw/zinc/73/50/93/557735093.db2.gz FJEVZHGTGSICDX-UHFFFAOYSA-N 0 1 447.300 4.037 40 0 IIABMN CCn1ccnc1CN1CCC2(CC1)CO[C@@H]1c3cc(OC)ccc3OC(C)(C)[C@H]1C2 ZINC000257326598 568723165 /nfs/dbraw/zinc/72/31/65/568723165.db2.gz WXVCCKWSBPLZRD-NZQKXSOJSA-N 0 1 425.573 4.443 40 0 IIABMN Cc1ncsc1C(=O)N1CCO[C@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000257329991 568724525 /nfs/dbraw/zinc/72/45/25/568724525.db2.gz XMHWZGLYEJGTIZ-NRFANRHFSA-N 0 1 440.569 4.133 40 0 IIABMN CC(C)c1nc2c(s1)CN(C(=O)N1CCCC1)CC21CCN(Cc2cccnc2)CC1 ZINC000306126799 568764496 /nfs/dbraw/zinc/76/44/96/568764496.db2.gz FFOCDURHQIUBMX-UHFFFAOYSA-N 0 1 439.629 4.227 40 0 IIABMN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306130525 568766169 /nfs/dbraw/zinc/76/61/69/568766169.db2.gz JIXJFMVXUNTGMK-AHWVRZQESA-N 0 1 447.966 4.132 40 0 IIABMN Cc1nc([C@@]2(O)CCCN(Cc3ccncc3)CC2)sc1CCOc1ccccc1F ZINC000019696256 569229700 /nfs/dbraw/zinc/22/97/00/569229700.db2.gz CEMWNLVPSPRWAT-XMMPIXPASA-N 0 1 441.572 4.481 40 0 IIABMN CCOC(=O)c1ccccc1NC(=O)c1ccc(CN2CCN(c3ccccc3)CC2)cc1 ZINC000020241758 569241239 /nfs/dbraw/zinc/24/12/39/569241239.db2.gz PUZBMRQPPFSHRG-UHFFFAOYSA-N 0 1 443.547 4.438 40 0 IIABMN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018166844 569285858 /nfs/dbraw/zinc/28/58/58/569285858.db2.gz BSHNXEWKJQWCMI-SGNDLWITSA-N 0 1 444.487 4.150 40 0 IIABMN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329061278 569583290 /nfs/dbraw/zinc/58/32/90/569583290.db2.gz WQBUBYDUTTXIGU-QGZVFWFLSA-N 0 1 434.327 4.723 40 0 IIABMN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000328977239 569583476 /nfs/dbraw/zinc/58/34/76/569583476.db2.gz FSIBZODUEDXFQN-KRWDZBQOSA-N 0 1 434.327 4.723 40 0 IIABMN COCCn1c(-c2ccc3c(c2)OCO3)cnc1NCc1cccc(Br)c1 ZINC000006239065 193893582 /nfs/dbraw/zinc/89/35/82/193893582.db2.gz ZZBYYPPETSKFJE-UHFFFAOYSA-N 0 1 430.302 4.300 40 0 IIABMN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020490464 522872647 /nfs/dbraw/zinc/87/26/47/522872647.db2.gz DUIKKLIVVNORSG-QFIPXVFZSA-N 0 1 439.537 4.295 40 0 IIABMN Cc1cc(C(F)(F)F)n2nc([C@H]3CCCN(C(=O)c4nc5ccc(F)cc5[nH]4)C3)cc2n1 ZINC000012221502 524206169 /nfs/dbraw/zinc/20/61/69/524206169.db2.gz WXLAPKJADHPLPI-LBPRGKRZSA-N 0 1 446.408 4.092 40 0 IIABMN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000020455300 525669384 /nfs/dbraw/zinc/66/93/84/525669384.db2.gz GBYKUICSFJIBMU-MRXNPFEDSA-N 0 1 427.551 4.310 40 0 IIABMN COc1ccc(Cl)cc1NC(=O)[C@H]1C[C@H]2CCCN2[C@@]12C(=O)Nc1c2cc(C)cc1C ZINC000009042187 555508893 /nfs/dbraw/zinc/50/88/93/555508893.db2.gz VPBLXOLTDCARML-BUKPSGGLSA-N 0 1 439.943 4.236 40 0 IIABMN CCCCOc1ccc(OCC(=O)N(CCN2CCCC2)c2ccccc2OC)cc1 ZINC000004216100 555976718 /nfs/dbraw/zinc/97/67/18/555976718.db2.gz LHQKYSCQIUUKDH-UHFFFAOYSA-N 0 1 426.557 4.382 40 0 in-man IIABMN O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000030857573 556510492 /nfs/dbraw/zinc/51/04/92/556510492.db2.gz OMJNSTRFSVZWQN-UHFFFAOYSA-N 0 1 447.969 4.408 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2SC)cc1 ZINC000015437375 556527483 /nfs/dbraw/zinc/52/74/83/556527483.db2.gz TVHWFXYYFQAAJA-UHFFFAOYSA-N 0 1 428.535 4.470 40 0 IIABMN COc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1 ZINC000015437509 556527903 /nfs/dbraw/zinc/52/79/03/556527903.db2.gz YARGZRBWPZPIBO-CXUHLZMHSA-N 0 1 438.505 4.157 40 0 IIABMN COc1ccccc1[C@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000101033029 556652597 /nfs/dbraw/zinc/65/25/97/556652597.db2.gz HKVSAYZUUFBPRN-FSSWDIPSSA-N 0 1 434.879 4.400 40 0 IIABMN COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000044855682 556671935 /nfs/dbraw/zinc/67/19/35/556671935.db2.gz OEGUJAUNBOJZNL-JOCHJYFZSA-N 0 1 426.532 4.465 40 0 IIABMN CC(=O)NC1(c2ccc(F)cc2)CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000019021151 556693550 /nfs/dbraw/zinc/69/35/50/556693550.db2.gz KZWTUHNZZMVKOM-UHFFFAOYSA-N 0 1 433.527 4.427 40 0 IIABMN COc1ccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c(OC)c1 ZINC000019082044 556697002 /nfs/dbraw/zinc/69/70/02/556697002.db2.gz CDDMFQHBESFGSV-QHCPKHFHSA-N 0 1 425.573 4.214 40 0 IIABMN O=C1O[C@]2(CCN(Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccc(F)cc1 ZINC000257207297 556702022 /nfs/dbraw/zinc/70/20/22/556702022.db2.gz BHDGLMNLWZFSLP-SANMLTNESA-N 0 1 447.510 4.397 40 0 IIABMN O=C1O[C@@]2(CCN(Cc3ccccc3OCc3ccccn3)C2)CN1Cc1ccccc1 ZINC000257310940 556718545 /nfs/dbraw/zinc/71/85/45/556718545.db2.gz UHGRFBQODVIEEH-AREMUKBSSA-N 0 1 429.520 4.258 40 0 IIABMN CCN1CCN(Cc2ccccc2OC)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527762 556787529 /nfs/dbraw/zinc/78/75/29/556787529.db2.gz VEZHDCUNBRBFSU-XMMPIXPASA-N 0 1 429.564 4.280 40 0 IIABMN CCOc1cc2c(cc1CN1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)O[C@@H](C)C2 ZINC000019532437 556792878 /nfs/dbraw/zinc/79/28/78/556792878.db2.gz GXLCHBRCLIPEER-KRWDZBQOSA-N 0 1 426.532 4.175 40 0 IIABMN Cc1ccc(O[C@H](C)C(=O)N2CCC(c3cc(C(F)(F)F)c4c(N)[nH]nc4n3)CC2)cc1 ZINC000019744944 556891707 /nfs/dbraw/zinc/89/17/07/556891707.db2.gz BPJNVBOHASUFKA-CYBMUJFWSA-N 0 1 447.461 4.041 40 0 IIABMN O=C(CN1CCCC1)N1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349737 556919712 /nfs/dbraw/zinc/91/97/12/556919712.db2.gz PSSBWKTULNFZKQ-LJQANCHMSA-N 0 1 431.502 4.493 40 0 IIABMN COCCNC(=O)c1sc2ccccc2c1[C@H]1CCN(Cc2cnc(C(C)C)nc2)C1 ZINC000072352294 556923657 /nfs/dbraw/zinc/92/36/57/556923657.db2.gz MFXGURZAGWPOGB-SFHVURJKSA-N 0 1 438.597 4.180 40 0 IIABMN CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1CC(=O)N1CCCCC1 ZINC000072370507 556934987 /nfs/dbraw/zinc/93/49/87/556934987.db2.gz MLYVKDAYADEIID-SFHVURJKSA-N 0 1 427.614 4.013 40 0 IIABMN COc1cccc(OCCc2cc([C@H]3CCN(C(=O)c4cc5ccc(C)cc5[nH]4)C3)n[nH]2)c1 ZINC000072371609 556939749 /nfs/dbraw/zinc/93/97/49/556939749.db2.gz SYPOJWDLTXTRRA-IBGZPJMESA-N 0 1 444.535 4.459 40 0 IIABMN COc1ccccc1OCCc1cc([C@@H]2CCN(C(=O)c3c(C)onc3C(C)C)C2)n[nH]1 ZINC000072371656 556940119 /nfs/dbraw/zinc/94/01/19/556940119.db2.gz TXZGHOVVLBIJAX-QGZVFWFLSA-N 0 1 438.528 4.089 40 0 IIABMN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN3CC(=O)Nc3ccccc3F)c2)n1 ZINC000072372499 556942822 /nfs/dbraw/zinc/94/28/22/556942822.db2.gz CZEGGNONHAMOBY-JOCHJYFZSA-N 0 1 434.519 4.455 40 0 IIABMN Cc1cc(Nc2ccccn2)cc([C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000072374887 556949362 /nfs/dbraw/zinc/94/93/62/556949362.db2.gz IRPNYUGINHXLLT-QGZVFWFLSA-N 0 1 426.517 4.236 40 0 IIABMN O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN21)c1cccs1 ZINC000585110044 557042538 /nfs/dbraw/zinc/04/25/38/557042538.db2.gz ATQIMSHMHQZXCZ-LEWJYISDSA-N 0 1 431.561 4.172 40 0 IIABMN CC(C)CN1CC2(CCN(Cc3cccs3)CC2)COc2ccccc2S1(=O)=O ZINC000096037151 557164180 /nfs/dbraw/zinc/16/41/80/557164180.db2.gz MIIAODRPPREZCQ-UHFFFAOYSA-N 0 1 434.627 4.070 40 0 IIABMN CN1CCCN(C(=O)c2cc(-c3csc(COc4ccccc4)n3)n3ccccc23)CC1 ZINC000096154891 557179017 /nfs/dbraw/zinc/17/90/17/557179017.db2.gz DSWISPRLMNUFLV-UHFFFAOYSA-N 0 1 446.576 4.420 40 0 IIABMN NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)c3[nH]nc4c3CCCCC4)CC2)nc2ccccc21 ZINC000100658076 557268535 /nfs/dbraw/zinc/26/85/35/557268535.db2.gz JSUKYUCTDSADJZ-CALCHBBNSA-N 0 1 445.567 4.030 40 0 IIABMN Cc1ccc(Nc2nccc([C@H]3CC[C@H](CNC(=O)[C@@H](N)c4ccccc4)CC3)n2)nc1 ZINC000100708875 557270768 /nfs/dbraw/zinc/27/07/68/557270768.db2.gz AWZDZUJTWLMNDT-YYDVJCTNSA-N 0 1 430.556 4.014 40 0 IIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2Cl)c(C)c1 ZINC000014155759 557427485 /nfs/dbraw/zinc/42/74/85/557427485.db2.gz QCSBQXWGOOZUDL-UHFFFAOYSA-N 0 1 429.929 4.083 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCCC2)c1 ZINC000026119773 557450473 /nfs/dbraw/zinc/45/04/73/557450473.db2.gz DGSBHQNRHVCFKH-UHFFFAOYSA-N 0 1 434.583 4.234 40 0 IIABMN CNC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000223279418 557455033 /nfs/dbraw/zinc/45/50/33/557455033.db2.gz JCSRHRUJTVGOPL-UHFFFAOYSA-N 0 1 446.912 4.058 40 0 IIABMN COc1ccc(-c2nnc(NC(=O)C3CCN(Cc4ccc(F)cc4)CC3)s2)cc1 ZINC000223679702 557501301 /nfs/dbraw/zinc/50/13/01/557501301.db2.gz QXTISLRMGWKWIX-UHFFFAOYSA-N 0 1 426.517 4.204 40 0 IIABMN CCCCN1CCCC[C@H]1C(=O)Nc1c(C)ccc(S(=O)(=O)N2CCCCC2)c1C ZINC000004577397 557541985 /nfs/dbraw/zinc/54/19/85/557541985.db2.gz VOIDCPDDVXAFDG-FQEVSTJZSA-N 0 1 435.634 4.071 40 0 IIABMN O=C(NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2CN1CCc2ccccc21)c1ccc(C(F)(F)F)cc1 ZINC000008635718 560106934 /nfs/dbraw/zinc/10/69/34/560106934.db2.gz TYLNWEHQWYXACE-TUNNFDKTSA-N 0 1 443.513 4.208 40 0 biogenic,in-vitro IIABMN CN(CCC(=O)N1CCC[C@H]1c1cncc(Cc2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257234979 568681357 /nfs/dbraw/zinc/68/13/57/568681357.db2.gz GVVZYWRQNLLMNI-DEOSSOPVSA-N 0 1 449.986 4.301 40 0 IIABMN Cc1nc(Nc2cccc(C3CCN(CC(=O)N4CCC(C)CC4)CC3)n2)sc1C ZINC000257273311 568699041 /nfs/dbraw/zinc/69/90/41/568699041.db2.gz NGBRAFYWXBCYBC-UHFFFAOYSA-N 0 1 427.618 4.336 40 0 IIABMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC(c2cncc(Nc3ccccn3)n2)CC1 ZINC000257280131 568702205 /nfs/dbraw/zinc/70/22/05/568702205.db2.gz OJOWALVGEKRDJV-UHFFFAOYSA-N 0 1 444.583 4.232 40 0 IIABMN CCc1nnc([N-]c2cccc([C@H]3CCCN(C(=O)C4CC[NH+](C(C)C)CC4)C3)n2)s1 ZINC000257302807 568712469 /nfs/dbraw/zinc/71/24/69/568712469.db2.gz SENHYKYYJMLNRY-SFHVURJKSA-N 0 1 442.633 4.066 40 0 IIABMN COc1cccc(OC)c1CN1CCC(c2cncc(Nc3nc(C)cc(C)n3)n2)CC1 ZINC000257305048 568713535 /nfs/dbraw/zinc/71/35/35/568713535.db2.gz SOFBPXPRCCUNHO-UHFFFAOYSA-N 0 1 434.544 4.024 40 0 IIABMN Cc1nc([C@@H]2CCCN(Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257330565 568724696 /nfs/dbraw/zinc/72/46/96/568724696.db2.gz XOYGGPSZWBEYBW-LJQANCHMSA-N 0 1 433.531 4.188 40 0 IIABMN CCOc1ccc(Br)cc1S(=O)(=O)Nc1nc2ccccc2nc1Cl ZINC000016757007 568893887 /nfs/dbraw/zinc/89/38/87/568893887.db2.gz WJVKMGWPCFXQLV-UHFFFAOYSA-N 0 1 442.722 4.245 40 0 IIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3ccccc3)cc2)c(OC)c1 ZINC000009886165 569220138 /nfs/dbraw/zinc/22/01/38/569220138.db2.gz ZGKAXVMMBYRIBF-OVCLIPMQSA-N 0 1 438.505 4.157 40 0 IIABMN COc1cccc(OC)c1CN1CCC[C@H]([C@@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000019567058 569227090 /nfs/dbraw/zinc/22/70/90/569227090.db2.gz JWXNIWDAPSUJCI-PGRDOPGGSA-N 0 1 443.613 4.420 40 0 IIABMN COc1ccc(CN2CCC[C@@H]([C@@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(F)c1 ZINC000019551751 569227102 /nfs/dbraw/zinc/22/71/02/569227102.db2.gz CAXKFEMWOMWQSU-NTKDMRAZSA-N 0 1 434.515 4.008 40 0 IIABMN Cc1ccc2n[nH]c(C(=O)N3CCO[C@@H](c4nccnc4-c4cccc(Cl)c4)C3)c2c1 ZINC000019693320 569228720 /nfs/dbraw/zinc/22/87/20/569228720.db2.gz SGRRIUDBEHJGMY-LJQANCHMSA-N 0 1 433.899 4.195 40 0 IIABMN Cc1nc([C@]2(O)CCCN(Cc3ccncc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704897 569233674 /nfs/dbraw/zinc/23/36/74/569233674.db2.gz PQQRYASNSKCZRR-DEOSSOPVSA-N 0 1 441.572 4.481 40 0 IIABMN Cc1cccc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)c1C ZINC000038181018 569248736 /nfs/dbraw/zinc/24/87/36/569248736.db2.gz ULUGDOIDBUUSLC-UHFFFAOYSA-N 0 1 433.331 4.287 40 0 IIABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)CC1 ZINC000109029601 569253390 /nfs/dbraw/zinc/25/33/90/569253390.db2.gz IIIJZPZTLIFJCH-UHFFFAOYSA-N 0 1 430.577 4.232 40 0 IIABMN COc1ccc(N2Oc3c(O)n(-c4ccc(Cl)cc4)c(O)c3[C@H]2c2ccccc2)cc1 ZINC000009358083 569295812 /nfs/dbraw/zinc/29/58/12/569295812.db2.gz BFWHVTSVWUKBED-YPAWHYETSA-N 0 1 434.879 4.400 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000018210486 569316077 /nfs/dbraw/zinc/31/60/77/569316077.db2.gz BFNZJMMKTNKZMB-SGNDLWITSA-N 0 1 444.487 4.063 40 0 IIABMN CN(C)C(=O)NC1CCC(CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1 ZINC000038309313 814363717 /nfs/dbraw/zinc/36/37/17/814363717.db2.gz KPWSJANDNDDRMB-UHFFFAOYSA-N 0 1 427.420 4.336 40 0 in-vitro IIABMN O=C1[C@@H]2C[C@@H](CN2CC2CC2)Oc2ccccc2N1Cc1ccc(OC(F)(F)F)cc1 ZINC000096111958 291386242 /nfs/dbraw/zinc/38/62/42/291386242.db2.gz AZUUKILZPOGMAE-ICSRJNTNSA-N 0 1 432.442 4.364 40 0 biogenic,in-vitro IIABMN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000022509277 525934438 /nfs/dbraw/zinc/93/44/38/525934438.db2.gz NDGDZDOLFLWFDA-QGZVFWFLSA-N 0 1 447.516 4.442 40 0 IIABMN CCOC(=O)c1ccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)cc1 ZINC000001358892 555691863 /nfs/dbraw/zinc/69/18/63/555691863.db2.gz ILXPSQXNSHGZOS-UHFFFAOYSA-N 0 1 440.931 4.211 40 0 IIABMN COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1NC(=O)c1ccccc1C ZINC000408561448 555903567 /nfs/dbraw/zinc/90/35/67/555903567.db2.gz SOQDMXRBBRDJBL-UHFFFAOYSA-N 0 1 440.521 4.374 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(F)cc2)cc1 ZINC000015437453 556527874 /nfs/dbraw/zinc/52/78/74/556527874.db2.gz SQAFFITVHDHWFM-HNNXBMFYSA-N 0 1 444.484 4.041 40 0 IIABMN C[C@@H](C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1)N1CCCC1 ZINC000019078742 556695494 /nfs/dbraw/zinc/69/54/94/556695494.db2.gz QYNZWUREGWOSCQ-CVDCTZTESA-N 0 1 442.567 4.430 40 0 IIABMN Cc1cc(C(F)(F)F)n2nc([C@H]3CCN(C(=O)c4cc(-c5ccccc5)[nH]n4)C3)cc2n1 ZINC000019117037 556700315 /nfs/dbraw/zinc/70/03/15/556700315.db2.gz LYHFYNVLQBACDQ-HNNXBMFYSA-N 0 1 440.429 4.076 40 0 IIABMN Cc1ccc(-c2ccc(C[C@]3(C(N)=O)CCCN(C(=O)c4cc(C(C)C)[nH]n4)C3)cc2)cc1 ZINC000019212415 556709955 /nfs/dbraw/zinc/70/99/55/556709955.db2.gz MGHBLJPERWIZRP-HHHXNRCGSA-N 0 1 444.579 4.459 40 0 IIABMN COc1ccc(F)cc1-c1cccc(CC2(C(=O)N[C@H]3CCCN(C)C3)CCOCC2)c1 ZINC000257283238 556715202 /nfs/dbraw/zinc/71/52/02/556715202.db2.gz OXKNRCGXEMQTHQ-QFIPXVFZSA-N 0 1 440.559 4.051 40 0 IIABMN Cc1ccccc1CC(=O)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019237085 556721959 /nfs/dbraw/zinc/72/19/59/556721959.db2.gz PTJOSJDZVBFFQI-DEOSSOPVSA-N 0 1 448.611 4.478 40 0 IIABMN O=C(c1cccc(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019293558 556733258 /nfs/dbraw/zinc/73/32/58/556733258.db2.gz SAYQDOLDFAOJKE-JOCHJYFZSA-N 0 1 438.547 4.380 40 0 IIABMN O=C(C1CCCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 ZINC000019343573 556741405 /nfs/dbraw/zinc/74/14/05/556741405.db2.gz IHSHDMQBWRFRTN-OAQYLSRUSA-N 0 1 440.613 4.024 40 0 IIABMN COc1cc2c(cc1CN[C@H](c1cc(=O)n3nc(-c4ccccn4)cc3[nH]1)C(C)C)CCC2 ZINC000019445448 556755978 /nfs/dbraw/zinc/75/59/78/556755978.db2.gz JSACVFWUHQESLC-SANMLTNESA-N 0 1 443.551 4.481 40 0 IIABMN CCOc1ccccc1C(=O)N1CCCC[C@H]2CN(Cc3c(C)nc4sccn34)C[C@H]21 ZINC000019520107 556775912 /nfs/dbraw/zinc/77/59/12/556775912.db2.gz QLXSNGALTPBDFJ-GHTZIAJQSA-N 0 1 438.597 4.230 40 0 IIABMN O=C(COc1ccc(F)cc1)N1CCC[C@@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000019703755 556862272 /nfs/dbraw/zinc/86/22/72/556862272.db2.gz KOMDRXRDVOZCPG-OAQYLSRUSA-N 0 1 427.451 4.052 40 0 IIABMN Cc1oc2c(c1C(=O)N1CCC[C@H](c3cc(C(F)(F)F)c4c(N)[nH]nc4n3)C1)CCCC2 ZINC000019742158 556885835 /nfs/dbraw/zinc/88/58/35/556885835.db2.gz PYDLNZURLGUFLE-LBPRGKRZSA-N 0 1 447.461 4.359 40 0 IIABMN CC(C)Nc1[nH]nc2nc([C@@H]3CCCN(C(=O)Cc4ccccn4)C3)cc(C(F)(F)F)c21 ZINC000019742190 556885909 /nfs/dbraw/zinc/88/59/09/556885909.db2.gz RBOPGEFGHSQREH-CQSZACIVSA-N 0 1 446.477 4.141 40 0 IIABMN CCN1CCN(c2cc(NC(=O)c3ccccc3Br)c(Cl)cc2N)CC1 ZINC000072229224 556901441 /nfs/dbraw/zinc/90/14/41/556901441.db2.gz CNGLNSBMGGJRPV-UHFFFAOYSA-N 0 1 437.769 4.079 40 0 IIABMN Cc1nc2ccccn2c1CN1CC[C@@H](c2ncc(C(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000019758078 556901942 /nfs/dbraw/zinc/90/19/42/556901942.db2.gz IHNHYNKNDCIGDE-GOSISDBHSA-N 0 1 444.514 4.122 40 0 IIABMN Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(Cc3ccc(Cl)cc3)CC2)n1 ZINC000019759130 556902593 /nfs/dbraw/zinc/90/25/93/556902593.db2.gz JFMWKTGLUFRVCW-UHFFFAOYSA-N 0 1 436.987 4.458 40 0 IIABMN CNc1ncccc1CN1CCC[C@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330516 556906302 /nfs/dbraw/zinc/90/63/02/556906302.db2.gz ZEPZIXAPDGWRED-CVDCTZTESA-N 0 1 433.531 4.041 40 0 IIABMN C=C1N=C(SCc2ccccc2)N[C@H](c2ccc(OC)cc2OC)C1C(=O)OCC ZINC000408991356 556911599 /nfs/dbraw/zinc/91/15/99/556911599.db2.gz QGWWNIXOKNGQBN-OAQYLSRUSA-N 0 1 426.538 4.475 40 0 IIABMN COc1cccc(OC)c1CN1CCC[C@@H]([C@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000072341427 556913677 /nfs/dbraw/zinc/91/36/77/556913677.db2.gz JWXNIWDAPSUJCI-GCJKJVERSA-N 0 1 443.613 4.420 40 0 IIABMN CNc1ncccc1CN1CC[C@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000072351973 556923055 /nfs/dbraw/zinc/92/30/55/556923055.db2.gz LSBXLNMLVNLWSX-KRWDZBQOSA-N 0 1 436.947 4.117 40 0 IIABMN O=C(c1ccc2ncccc2c1)N1CC[C@H](c2cc(CCOc3ccc(F)cc3)[nH]n2)C1 ZINC000072371449 556938536 /nfs/dbraw/zinc/93/85/36/556938536.db2.gz NLFSMQLRLGVIMQ-IBGZPJMESA-N 0 1 430.483 4.348 40 0 IIABMN COc1ccc(-c2nnc(CSc3nc(-c4ccccc4Cl)n[nH]3)o2)cc1OC ZINC000019928216 556946139 /nfs/dbraw/zinc/94/61/39/556946139.db2.gz SWVRWJANOCPENF-UHFFFAOYSA-N 0 1 429.889 4.485 40 0 IIABMN Cc1cc(Nc2nc(C)cc(C)n2)cc([C@@H]2CCCN(C(=O)COc3ccccc3F)C2)n1 ZINC000072374961 556949749 /nfs/dbraw/zinc/94/97/49/556949749.db2.gz SLDKALQISVUBIA-LJQANCHMSA-N 0 1 449.530 4.465 40 0 IIABMN Cc1nc(C2CCN(Cc3cccnc3)CC2)nc2c1CCC(=O)N2CC1CCCCC1 ZINC000072380058 556957251 /nfs/dbraw/zinc/95/72/51/556957251.db2.gz ZPZNFDDHXOBRCZ-UHFFFAOYSA-N 0 1 433.600 4.419 40 0 IIABMN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000072391226 556961793 /nfs/dbraw/zinc/96/17/93/556961793.db2.gz MXHSRSHWQUXQDF-AREMUKBSSA-N 0 1 430.552 4.066 40 0 IIABMN COC(=O)COc1ccc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)cc1 ZINC000409246736 557028297 /nfs/dbraw/zinc/02/82/97/557028297.db2.gz ATFNQVNQPAINNG-UHFFFAOYSA-N 0 1 447.896 4.485 40 0 IIABMN O=C(CC1CCOCC1)N[C@@H]1c2ccccc2[C@@H]2CN(Cc3ccc(F)cc3F)C[C@@H]21 ZINC000585109736 557041802 /nfs/dbraw/zinc/04/18/02/557041802.db2.gz MZHHQABZXXRARE-WRALFONMSA-N 0 1 426.507 4.168 40 0 IIABMN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000216265075 557141756 /nfs/dbraw/zinc/14/17/56/557141756.db2.gz KCMTWGYXKJHFGB-OAQYLSRUSA-N 0 1 439.537 4.295 40 0 IIABMN Cc1noc(C)c1COc1ccc(CN2C[C@H](O)[C@@H](Oc3cc(C)cc(C)c3C)C2)cc1 ZINC000585268690 557207413 /nfs/dbraw/zinc/20/74/13/557207413.db2.gz FBZSBLVFXCRPCC-AHWVRZQESA-N 0 1 436.552 4.420 40 0 IIABMN CC(=O)N1CCc2nc3cc([C@H]4CCCC[N@@H+]4Cc4ccc(C(C)C)cc4)[n-]n3c(=O)c2C1 ZINC000100242920 557254467 /nfs/dbraw/zinc/25/44/67/557254467.db2.gz GRCGGCFAZSHVOM-XMMPIXPASA-N 0 1 447.583 4.190 40 0 IIABMN CN1CCN(c2ccc(NC(=O)CSCc3ccc(Br)cc3)cc2)CC1 ZINC000113933117 557379062 /nfs/dbraw/zinc/37/90/62/557379062.db2.gz LANYLGHMVZZCGG-UHFFFAOYSA-N 0 1 434.403 4.073 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CCCOc2ccccc2)cc1 ZINC000224544793 557619926 /nfs/dbraw/zinc/61/99/26/557619926.db2.gz QAGLMCNJDHWHBL-UHFFFAOYSA-N 0 1 440.521 4.294 40 0 IIABMN COc1cccc(Nc2cc(C)nc([C@@H]3CCCN(CC(=O)Nc4cc(C)on4)C3)c2)c1 ZINC000257218941 568673779 /nfs/dbraw/zinc/67/37/79/568673779.db2.gz DEYPYWVASNJKFR-GOSISDBHSA-N 0 1 435.528 4.257 40 0 IIABMN Cc1nc2ccccn2c1CN1CCC[C@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257225679 568676864 /nfs/dbraw/zinc/67/68/64/568676864.db2.gz FHHNYKADWKIOFZ-NRFANRHFSA-N 0 1 442.567 4.018 40 0 IIABMN Clc1ccc(O[C@@H]2COC3(C2)CCN(Cc2ccnc(N4CCCCC4)n2)CC3)cc1 ZINC000257294555 568708583 /nfs/dbraw/zinc/70/85/83/568708583.db2.gz QURFIIFXURXBBG-QFIPXVFZSA-N 0 1 442.991 4.323 40 0 IIABMN Cc1cc(Nc2cnccn2)cc(C2CCN(C(=O)[C@H]3Cc4cc(Cl)ccc4O3)CC2)n1 ZINC000257334038 568725996 /nfs/dbraw/zinc/72/59/96/568725996.db2.gz YEGNNZNXABLHBT-JOCHJYFZSA-N 0 1 449.942 4.287 40 0 IIABMN Cc1nc2ccccn2c1CN1CCC[C@@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257340901 568728969 /nfs/dbraw/zinc/72/89/69/568728969.db2.gz ZHZZTKVSGFUSKG-LJQANCHMSA-N 0 1 434.588 4.150 40 0 IIABMN COc1cccc(CN2CCC[C@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000019567748 569227099 /nfs/dbraw/zinc/22/70/99/569227099.db2.gz FJRRBMMJYXDOIQ-GHTZIAJQSA-N 0 1 443.613 4.420 40 0 IIABMN COc1ccc([C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000022440925 525205595 /nfs/dbraw/zinc/20/55/95/525205595.db2.gz PIKMDZDCXCAPEF-DEOSSOPVSA-N 0 1 432.564 4.144 40 0 investigational IIABMN Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccc(F)cc3)nn2C)cc1 ZINC000012602103 526183348 /nfs/dbraw/zinc/18/33/48/526183348.db2.gz HPJMFFJNBQMKGD-WWNPGLIZSA-N 0 1 432.543 4.142 40 0 biogenic,in-vitro IIABMN O=C(Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1)c1ccc(N2CCCCC2)cc1 ZINC000020451635 527255706 /nfs/dbraw/zinc/25/57/06/527255706.db2.gz KUVLXRRMEHDCEH-UHFFFAOYSA-N 0 1 436.537 4.125 40 0 IIABMN Cc1nnc(SCC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)[nH]1 ZINC000408527630 555718151 /nfs/dbraw/zinc/71/81/51/555718151.db2.gz PCNVJKYQLIETDK-UHFFFAOYSA-N 0 1 427.555 4.037 40 0 IIABMN Cc1n[nH]c(SCC(=O)Nc2sc3c(c2C(=O)Nc2ccccc2)CCCC3)n1 ZINC000408527630 555718153 /nfs/dbraw/zinc/71/81/53/555718153.db2.gz PCNVJKYQLIETDK-UHFFFAOYSA-N 0 1 427.555 4.037 40 0 IIABMN CCOc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 ZINC000408543551 555791169 /nfs/dbraw/zinc/79/11/69/555791169.db2.gz PXFKFOXGJJWVIZ-UHFFFAOYSA-N 0 1 449.330 4.069 40 0 IIABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)/C=C/c2ccc(Cl)cc2Cl)c1 ZINC000408576188 555926634 /nfs/dbraw/zinc/92/66/34/555926634.db2.gz VQABOAXKPUXWJY-VMPITWQZSA-N 0 1 448.350 4.184 40 0 IIABMN CC(=O)Nc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000408627506 555998330 /nfs/dbraw/zinc/99/83/30/555998330.db2.gz NEZKHRLQDHDJIG-UHFFFAOYSA-N 0 1 443.912 4.352 40 0 IIABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)c1 ZINC000408637410 556020588 /nfs/dbraw/zinc/02/05/88/556020588.db2.gz JYHRXBCVHQWOAC-UHFFFAOYSA-N 0 1 435.431 4.180 40 0 IIABMN CC(C)OC(=O)c1ccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)cc1 ZINC000009198366 556256418 /nfs/dbraw/zinc/25/64/18/556256418.db2.gz YMFJBQBVNITGAY-UHFFFAOYSA-N 0 1 430.917 4.421 40 0 IIABMN Cc1cc(-c2cnc(NC(C)C)nc2C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)on1 ZINC000012087423 556400559 /nfs/dbraw/zinc/40/05/59/556400559.db2.gz QFSMLBZPOLLKHI-UHFFFAOYSA-N 0 1 437.548 4.127 40 0 IIABMN COc1ccccc1/C=C/C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000015437591 556527842 /nfs/dbraw/zinc/52/78/42/556527842.db2.gz XMUDWDJDWMVGHH-LFIBNONCSA-N 0 1 438.505 4.157 40 0 IIABMN Cc1ccc(C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)cc1 ZINC000032116759 556532776 /nfs/dbraw/zinc/53/27/76/556532776.db2.gz LXLBBZLYORWMHJ-UHFFFAOYSA-N 0 1 444.148 4.352 40 0 IIABMN COc1cccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000100934100 556612054 /nfs/dbraw/zinc/61/20/54/556612054.db2.gz FSPQQKSLNXBBCG-FKBYEOEOSA-N 0 1 434.879 4.400 40 0 IIABMN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000038757063 556618757 /nfs/dbraw/zinc/61/87/57/556618757.db2.gz XYKZQFVXAFDBQZ-QGZVFWFLSA-N 0 1 439.537 4.412 40 0 IIABMN CC[C@@H](NC(=O)C1CCN(Cc2ccccc2Cl)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856978 556672915 /nfs/dbraw/zinc/67/29/15/556672915.db2.gz REUIKDYWPCMVDE-JOCHJYFZSA-N 0 1 449.016 4.223 40 0 IIABMN C[C@H](C(=O)N1CCC[C@@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1)N1CCCC1 ZINC000019078732 556695512 /nfs/dbraw/zinc/69/55/12/556695512.db2.gz QYNZWUREGWOSCQ-AUSIDOKSSA-N 0 1 442.567 4.430 40 0 IIABMN COc1ccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c(OC)c1 ZINC000019082042 556697050 /nfs/dbraw/zinc/69/70/50/556697050.db2.gz CDDMFQHBESFGSV-HSZRJFAPSA-N 0 1 425.573 4.214 40 0 IIABMN COC1(COc2ccc(C)cc2C)CCN(CC(=O)NC(C)(C)Cc2ccccc2)CC1 ZINC000257325500 556704801 /nfs/dbraw/zinc/70/48/01/556704801.db2.gz WTEAMJKVBXLSKG-UHFFFAOYSA-N 0 1 438.612 4.301 40 0 IIABMN Cc1ccc(C(=O)N2CCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCC2)CC4)cc1 ZINC000019135267 556705743 /nfs/dbraw/zinc/70/57/43/556705743.db2.gz DHAUSNKUQQKKLB-QHCPKHFHSA-N 0 1 445.567 4.021 40 0 IIABMN Cc1ccc(C(=O)N2CCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)C[N@H+](C2CCCC2)CC4)cc1 ZINC000019135264 556705809 /nfs/dbraw/zinc/70/58/09/556705809.db2.gz DHAUSNKUQQKKLB-HSZRJFAPSA-N 0 1 445.567 4.021 40 0 IIABMN O=C(c1ccccc1)N1CCO[C@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257344845 556718880 /nfs/dbraw/zinc/71/88/80/556718880.db2.gz ZYWCVPBIGMCWFA-NRFANRHFSA-N 0 1 445.441 4.264 40 0 IIABMN O=C(Cc1ccccc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019370219 556747462 /nfs/dbraw/zinc/74/74/62/556747462.db2.gz RACWTOWUZKAZOW-QHCPKHFHSA-N 0 1 434.584 4.169 40 0 IIABMN COc1cc2c(cc1CN[C@@H](c1cc(=O)n3nc(-c4ccccn4)cc3[nH]1)C(C)C)CCC2 ZINC000019445450 556755915 /nfs/dbraw/zinc/75/59/15/556755915.db2.gz JSACVFWUHQESLC-AREMUKBSSA-N 0 1 443.551 4.481 40 0 IIABMN CCCN1CCN(Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502831 556773962 /nfs/dbraw/zinc/77/39/62/556773962.db2.gz XNHNQQNKVIPPOO-RUZDIDTESA-N 0 1 428.580 4.365 40 0 IIABMN CCOc1ccccc1C(=O)N1CCC(c2[nH]ncc2C(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000019520041 556775801 /nfs/dbraw/zinc/77/58/01/556775801.db2.gz BMKKWLXEIDYJHF-ROUUACIJSA-N 0 1 438.572 4.231 40 0 IIABMN CCOc1ncc(C2(O)CCN(Cc3oc4ccc(C)cc4c3C)CC2)c(OCC)n1 ZINC000019531705 556792255 /nfs/dbraw/zinc/79/22/55/556792255.db2.gz CLPBKURQSDVNGX-UHFFFAOYSA-N 0 1 425.529 4.121 40 0 IIABMN COc1ccc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1OC ZINC000019585263 556822423 /nfs/dbraw/zinc/82/24/23/556822423.db2.gz YWXPYBRUCHAHJO-OAQYLSRUSA-N 0 1 433.556 4.349 40 0 IIABMN COc1cccc(OC)c1NC(=O)CN1CCC(c2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000004620439 556823107 /nfs/dbraw/zinc/82/31/07/556823107.db2.gz KIFUJLYRJFEHPQ-UHFFFAOYSA-N 0 1 428.920 4.052 40 0 IIABMN COc1cc(C[NH2+]C2CCCCC2)ccc1OCC(=O)[N-]C(=O)c1ccc(C)c(Cl)c1 ZINC000019642608 556837873 /nfs/dbraw/zinc/83/78/73/556837873.db2.gz MWDQIADTAWMBPM-UHFFFAOYSA-N 0 1 444.959 4.415 40 0 IIABMN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN2C(=O)c2cc(C(C)C)[nH]n2)c1 ZINC000019689539 556844463 /nfs/dbraw/zinc/84/44/63/556844463.db2.gz PMFBKXKFWJVKCO-NRFANRHFSA-N 0 1 434.544 4.042 40 0 IIABMN COCCc1ncc(CN2CCC[C@@H](c3ccc(Cc4cccc(OC)c4)cn3)C2)cn1 ZINC000019690233 556845680 /nfs/dbraw/zinc/84/56/80/556845680.db2.gz NDZUEMMVDGXDKU-HSZRJFAPSA-N 0 1 432.568 4.040 40 0 IIABMN Cc1nc([C@H]2CCCN(Cc3cccnc3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695799 556852737 /nfs/dbraw/zinc/85/27/37/556852737.db2.gz NWUKRZBEGDHGKF-NRFANRHFSA-N 0 1 445.542 4.178 40 0 IIABMN O=C(COc1ccc(F)cc1)N1CCC[C@H]1c1cc(CCOc2ccccc2F)[nH]n1 ZINC000019703756 556862153 /nfs/dbraw/zinc/86/21/53/556862153.db2.gz KOMDRXRDVOZCPG-NRFANRHFSA-N 0 1 427.451 4.052 40 0 IIABMN CC(C)Nc1[nH]nc2nc(C3CCN(C(=O)C[C@@H]4CCCO4)CC3)cc(C(F)(F)F)c21 ZINC000019744668 556891307 /nfs/dbraw/zinc/89/13/07/556891307.db2.gz IXHZQDNSQFYKCR-AWEZNQCLSA-N 0 1 439.482 4.072 40 0 IIABMN O=C(c1ccccn1)N1CCC(c2ccc3c(n[nH]c3NCc3ccccc3F)n2)CC1 ZINC000019744922 556891489 /nfs/dbraw/zinc/89/14/89/556891489.db2.gz ZJNFBCOYJHLPMS-UHFFFAOYSA-N 0 1 430.487 4.124 40 0 IIABMN COc1cccc(CN2CCC[C@@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000072341429 556913606 /nfs/dbraw/zinc/91/36/06/556913606.db2.gz FJRRBMMJYXDOIQ-NQIIRXRSSA-N 0 1 443.613 4.420 40 0 IIABMN CCc1ncc(CN2CCC[C@H](c3nc(N)ncc3-c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000072346224 556917810 /nfs/dbraw/zinc/91/78/10/556917810.db2.gz WVYCPXFQOBEZIU-KRWDZBQOSA-N 0 1 442.489 4.477 40 0 IIABMN O=C(CN1CC[C@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371244 556937908 /nfs/dbraw/zinc/93/79/08/556937908.db2.gz VXAXVTSIHSLIGC-INIZCTEOSA-N 0 1 442.922 4.252 40 0 IIABMN COc1ccc(CC(=O)N2CC[C@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cc1 ZINC000072371363 556938201 /nfs/dbraw/zinc/93/82/01/556938201.db2.gz VBPIUTHEQFBGLY-SFHVURJKSA-N 0 1 439.943 4.252 40 0 IIABMN CCn1c(CN2CC[C@H](c3cc(CCOc4ccc(OC)cc4)n[nH]3)C2)nc2ccccc21 ZINC000072371455 556938626 /nfs/dbraw/zinc/93/86/26/556938626.db2.gz GFBHRCKDOQMRGZ-IBGZPJMESA-N 0 1 445.567 4.399 40 0 IIABMN CCn1c(CN2CC[C@H](c3cc(CCOc4ccc(OC)cc4)[nH]n3)C2)nc2ccccc21 ZINC000072371455 556938630 /nfs/dbraw/zinc/93/86/30/556938630.db2.gz GFBHRCKDOQMRGZ-IBGZPJMESA-N 0 1 445.567 4.399 40 0 IIABMN CC(C)c1cc(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)n[nH]1 ZINC000072371501 556939067 /nfs/dbraw/zinc/93/90/67/556939067.db2.gz MSAOHFFGNDHVNL-HNNXBMFYSA-N 0 1 427.936 4.161 40 0 IIABMN CC(C)c1cc(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4Cl)n[nH]3)C2)n[nH]1 ZINC000072371502 556939216 /nfs/dbraw/zinc/93/92/16/556939216.db2.gz MSAOHFFGNDHVNL-OAHLLOKOSA-N 0 1 427.936 4.161 40 0 IIABMN COc1ccc(NC(=O)CN2CCC[C@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)cc1 ZINC000072372482 556942922 /nfs/dbraw/zinc/94/29/22/556942922.db2.gz VEZKJZZQZHHKRK-QHCPKHFHSA-N 0 1 446.555 4.325 40 0 IIABMN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(C(=O)COc4ccccc4)C3)c2)n1 ZINC000072374880 556949396 /nfs/dbraw/zinc/94/93/96/556949396.db2.gz MTDBTLFZQAUWRT-FQEVSTJZSA-N 0 1 431.540 4.325 40 0 IIABMN Cc1cc(Nc2cnccn2)cc([C@@H]2CCCN(C(=O)COc3c(C)cccc3C)C2)n1 ZINC000072375000 556950112 /nfs/dbraw/zinc/95/01/12/556950112.db2.gz BYDIYULBSKPCNZ-HXUWFJFHSA-N 0 1 431.540 4.325 40 0 IIABMN O=C(C1CCN(Cc2ccccn2)CC1)N1CCc2nc(-c3cccc(F)c3)sc2C1 ZINC000072392006 556962748 /nfs/dbraw/zinc/96/27/48/556962748.db2.gz IWWLVCVYQQIEGJ-UHFFFAOYSA-N 0 1 436.556 4.141 40 0 IIABMN CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(Cc2cnc(C)n2C)C1 ZINC000072394072 556965640 /nfs/dbraw/zinc/96/56/40/556965640.db2.gz DZHMNSVQUMSABO-VWLOTQADSA-N 0 1 436.556 4.080 40 0 IIABMN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@@H](C)CN4CCOCC4)C3)c(-c3ccncc3)c2c1 ZINC000072396798 556969688 /nfs/dbraw/zinc/96/96/88/556969688.db2.gz 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COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000014155414 557427195 /nfs/dbraw/zinc/42/71/95/557427195.db2.gz WHSPSJZKCROUFM-UHFFFAOYSA-N 0 1 430.913 4.079 40 0 IIABMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000016127611 557471704 /nfs/dbraw/zinc/47/17/04/557471704.db2.gz ZLKZTQNXGVEKCY-UHFFFAOYSA-N 0 1 426.210 4.157 40 0 IIABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](CC(C)C)c3ccccc3)s2)c1 ZINC000223978073 557537990 /nfs/dbraw/zinc/53/79/90/557537990.db2.gz DNTIUWKLTUTZFI-GOSISDBHSA-N 0 1 444.582 4.165 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2cc(C)ccc2C)cc1 ZINC000224551921 557621717 /nfs/dbraw/zinc/62/17/17/557621717.db2.gz NZZONDSEHUUJRM-UHFFFAOYSA-N 0 1 440.521 4.130 40 0 IIABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cccc(Cl)c3Cl)s2)c1 ZINC000224869513 557660395 /nfs/dbraw/zinc/66/03/95/557660395.db2.gz SCFFBTDQBDVEGL-UHFFFAOYSA-N 0 1 443.337 4.206 40 0 IIABMN O=C(COc1ccccc1F)N1CCC[C@@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1 ZINC000257216469 568672803 /nfs/dbraw/zinc/67/28/03/568672803.db2.gz CUPWDJJSAFNKQF-OAQYLSRUSA-N 0 1 445.498 4.452 40 0 IIABMN CC(=O)N1CC[C@@H](c2[nH]ncc2-c2ccnc(NCc3ccccc3OCC(C)C)c2)C1 ZINC000257228824 568678491 /nfs/dbraw/zinc/67/84/91/568678491.db2.gz FVKBJAWGCQNQPW-OAQYLSRUSA-N 0 1 433.556 4.454 40 0 IIABMN CN(CCC(=O)N1CCC[C@@H]1c1cncc(Cc2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257234980 568681630 /nfs/dbraw/zinc/68/16/30/568681630.db2.gz GVVZYWRQNLLMNI-XMMPIXPASA-N 0 1 449.986 4.301 40 0 IIABMN Cc1nc([C@@H]2CCCN(Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257243309 568685226 /nfs/dbraw/zinc/68/52/26/568685226.db2.gz IGHXUMIMRSTAPJ-HXUWFJFHSA-N 0 1 433.531 4.188 40 0 IIABMN CCc1nnc([N-]c2cccc([C@@H]3CCCN(C(=O)CC[NH+]4CCC(C)CC4)C3)n2)s1 ZINC000257250910 568689227 /nfs/dbraw/zinc/68/92/27/568689227.db2.gz JONLHNOHSWXSIH-GOSISDBHSA-N 0 1 442.633 4.067 40 0 IIABMN CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2Cl)C[C@H]1NC(=O)OC(C)(C)C ZINC000257274932 568699909 /nfs/dbraw/zinc/69/99/09/568699909.db2.gz 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CCOc1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 ZINC000026115760 569242339 /nfs/dbraw/zinc/24/23/39/569242339.db2.gz NWWKQCFMBHETTG-UHFFFAOYSA-N 0 1 434.583 4.234 40 0 IIABMN COc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1OC ZINC000033651914 569245311 /nfs/dbraw/zinc/24/53/11/569245311.db2.gz UVEMASMVBONJBE-UHFFFAOYSA-N 0 1 446.912 4.410 40 0 IIABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000018045348 569284285 /nfs/dbraw/zinc/28/42/85/569284285.db2.gz JQUZKCPXNCFLNV-HJOGWXRNSA-N 0 1 444.487 4.063 40 0 IIABMN COc1cc2c(cc1CN1CC[C@H]3[C@H]1CCCCC(=O)N3Cc1ccccc1)OCCO2 ZINC000019713834 569327813 /nfs/dbraw/zinc/32/78/13/569327813.db2.gz LOKJBSHVSKFHHL-YADHBBJMSA-N 0 1 436.552 4.012 40 0 IIABMN COc1cc(CN2Cc3ccccc3OC3(CCC(CO)CC3)C2)cc(OC)c1OC ZINC000012122569 522406334 /nfs/dbraw/zinc/40/63/34/522406334.db2.gz WUDKBBSPYWFFSN-UHFFFAOYSA-N 0 1 427.541 4.028 40 0 IIABMN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020490462 523040404 /nfs/dbraw/zinc/04/04/04/523040404.db2.gz DUIKKLIVVNORSG-JOCHJYFZSA-N 0 1 439.537 4.295 40 0 IIABMN CC[C@@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020460591 523050441 /nfs/dbraw/zinc/05/04/41/523050441.db2.gz KDIXPKGURDNWLQ-HXUWFJFHSA-N 0 1 439.537 4.295 40 0 IIABMN COc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3cccc(C)c3)no2)cc1 ZINC000020464500 524558820 /nfs/dbraw/zinc/55/88/20/524558820.db2.gz LPZCKAMYTALTRB-FQEVSTJZSA-N 0 1 430.468 4.108 40 0 biogenic,in-vitro IIABMN Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000022530904 525183548 /nfs/dbraw/zinc/18/35/48/525183548.db2.gz ULJGQOOIKDQKTD-UHFFFAOYSA-N 0 1 427.551 4.063 40 0 IIABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc2c(ccc3ccccc23)o1 ZINC000020460681 527258026 /nfs/dbraw/zinc/25/80/26/527258026.db2.gz VMJPTKMEOYTERC-UHFFFAOYSA-N 0 1 444.472 4.429 40 0 IIABMN Cc1cc(Cl)ccc1NC(=O)CC1SC(NC(=O)c2ccccc2Cl)=NC1=O ZINC000001623977 555706815 /nfs/dbraw/zinc/70/68/15/555706815.db2.gz PMYLZPSZWBJYKF-HNNXBMFYSA-N 0 1 436.320 4.058 40 0 IIABMN Cc1cc(Cl)ccc1NC(=O)Cc1sc(NC(=O)c2ccccc2Cl)nc1O ZINC000001623977 555706818 /nfs/dbraw/zinc/70/68/18/555706818.db2.gz PMYLZPSZWBJYKF-HNNXBMFYSA-N 0 1 436.320 4.058 40 0 IIABMN CC(C)(C)SCCNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000408549102 555821349 /nfs/dbraw/zinc/82/13/49/555821349.db2.gz WYDGPYZFUGNKNQ-UHFFFAOYSA-N 0 1 426.991 4.402 40 0 IIABMN COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C ZINC000408593690 555959819 /nfs/dbraw/zinc/95/98/19/555959819.db2.gz NDFGOBFEWYHUGV-UHFFFAOYSA-N 0 1 427.478 4.140 40 0 IIABMN COc1ccc(NC(=N)Nc2nc(CSc3ccc(Cl)cc3)cc(=O)[nH]2)c(OC)c1 ZINC000009935196 556318584 /nfs/dbraw/zinc/31/85/84/556318584.db2.gz YVCCTDCTISEZJO-UHFFFAOYSA-N 0 1 445.932 4.192 40 0 IIABMN O=C(CCSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000030755127 556504551 /nfs/dbraw/zinc/50/45/51/556504551.db2.gz WJQXXOGZAXBLRT-UHFFFAOYSA-N 0 1 427.551 4.144 40 0 IIABMN CCOc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3OC)cc2)cc1 ZINC000015437558 556527831 /nfs/dbraw/zinc/52/78/31/556527831.db2.gz UBNHJTBFNHXDEY-UHFFFAOYSA-N 0 1 426.494 4.147 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2Cl)cc1 ZINC000015437658 556527964 /nfs/dbraw/zinc/52/79/64/556527964.db2.gz GHXUZESRCVUOAB-UHFFFAOYSA-N 0 1 446.912 4.167 40 0 IIABMN COC(=O)c1ccccc1NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000016194302 556589507 /nfs/dbraw/zinc/58/95/07/556589507.db2.gz UQIJLEJKBFJHBY-UHFFFAOYSA-N 0 1 444.896 4.180 40 0 IIABMN Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000044845958 556669389 /nfs/dbraw/zinc/66/93/89/556669389.db2.gz FTVDQVKPZMSIAZ-UHFFFAOYSA-N 0 1 427.551 4.312 40 0 IIABMN CC(C)CN1C[C@@]2(CCN(C(=O)CN(C)C)[C@@H](c3ccccc3)C2)N(c2ccccc2)C1=O ZINC000257217617 556703151 /nfs/dbraw/zinc/70/31/51/556703151.db2.gz CZTIIVDDSXOQCE-SQHAQQRYSA-N 0 1 448.611 4.249 40 0 IIABMN Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)cc1 ZINC000019135455 556706098 /nfs/dbraw/zinc/70/60/98/556706098.db2.gz VWVQCGNSMJRCQH-QHCPKHFHSA-N 0 1 434.584 4.137 40 0 IIABMN Cc1ccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)cc1 ZINC000019135455 556706100 /nfs/dbraw/zinc/70/61/00/556706100.db2.gz VWVQCGNSMJRCQH-QHCPKHFHSA-N 0 1 434.584 4.137 40 0 IIABMN CCCN1CCN(Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502938 556774143 /nfs/dbraw/zinc/77/41/43/556774143.db2.gz KLANHJJNTBESTA-VWLOTQADSA-N 0 1 428.580 4.365 40 0 IIABMN CCCN1CCN(Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019503269 556774766 /nfs/dbraw/zinc/77/47/66/556774766.db2.gz AZWRFZIDTMEYTA-XMMPIXPASA-N 0 1 428.580 4.365 40 0 IIABMN COc1ccc(OC)c(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1 ZINC000001358797 556785956 /nfs/dbraw/zinc/78/59/56/556785956.db2.gz SRCJXHJAWYVLRX-UHFFFAOYSA-N 0 1 428.920 4.052 40 0 IIABMN CCN1CCN(C(=O)c2cc(C(C)C)[nH]n2)C[C@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019527649 556786620 /nfs/dbraw/zinc/78/66/20/556786620.db2.gz KWRQRTTTWLURJD-QFIPXVFZSA-N 0 1 444.579 4.363 40 0 IIABMN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000019562196 556803559 /nfs/dbraw/zinc/80/35/59/556803559.db2.gz OEIARFRPPRTDFJ-PMACEKPBSA-N 0 1 438.351 4.386 40 0 IIABMN CCn1ccnc1CN1CCC[C@@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 ZINC000019578065 556815778 /nfs/dbraw/zinc/81/57/78/556815778.db2.gz IXFCMCXOVZQYIQ-MHZLTWQESA-N 0 1 445.611 4.315 40 0 IIABMN O=C(NC1CCCC1)[C@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccn[nH]1 ZINC000006445504 556833469 /nfs/dbraw/zinc/83/34/69/556833469.db2.gz DCJCSWSWGMNFNW-QFIPXVFZSA-N 0 1 438.478 4.130 40 0 IIABMN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN2C(=O)c2cc(C(C)C)[nH]n2)c1 ZINC000019689541 556844517 /nfs/dbraw/zinc/84/45/17/556844517.db2.gz PMFBKXKFWJVKCO-OAQYLSRUSA-N 0 1 434.544 4.042 40 0 IIABMN CCn1ncc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c1C ZINC000019694353 556850350 /nfs/dbraw/zinc/85/03/50/556850350.db2.gz KHSXUARHYSHNGF-HSZRJFAPSA-N 0 1 434.588 4.470 40 0 IIABMN Cc1nc(C2CCN(Cc3ccccn3)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019703742 556862106 /nfs/dbraw/zinc/86/21/06/556862106.db2.gz LZLVZEGCIYLUFR-UHFFFAOYSA-N 0 1 445.542 4.178 40 0 IIABMN COc1ccccc1CNc1[nH]nc2nc([C@@H]3CCCN(C(=O)C4CCCC4)C3)ccc21 ZINC000019742776 556886914 /nfs/dbraw/zinc/88/69/14/556886914.db2.gz UEWUUGZCEGAVGT-LJQANCHMSA-N 0 1 433.556 4.475 40 0 IIABMN Cc1ccc2nc(Sc3ccc(C=c4sc5nc6ccccc6n5c4=O)o3)[nH]c2c1 ZINC000408968099 556903551 /nfs/dbraw/zinc/90/35/51/556903551.db2.gz ZKGIRQBUKJPVFL-WQRHYEAKSA-N 0 1 430.514 4.386 40 0 IIABMN CC(C)c1cc(C(=O)N2CCC3(C[C@]4(CO3)Nc3ccccc3-n3cccc34)CC2)n[nH]1 ZINC000072327264 556903996 /nfs/dbraw/zinc/90/39/96/556903996.db2.gz QGJWVJQJTFZBOT-RUZDIDTESA-N 0 1 431.540 4.040 40 0 IIABMN COc1cccc(OCCc2cc([C@@H]3CCN(C(=O)c4cc5ccc(C)cc5[nH]4)C3)n[nH]2)c1 ZINC000072371610 556939805 /nfs/dbraw/zinc/93/98/05/556939805.db2.gz SYPOJWDLTXTRRA-LJQANCHMSA-N 0 1 444.535 4.459 40 0 IIABMN O=C(COc1ccc(F)cc1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371697 556939974 /nfs/dbraw/zinc/93/99/74/556939974.db2.gz 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COc1ccc(NS(=O)(=O)c2ccc(NC(=O)CCc3ccccc3)cc2)c(OC)c1 ZINC000409165967 556982229 /nfs/dbraw/zinc/98/22/29/556982229.db2.gz BMOOANHMIJTISY-UHFFFAOYSA-N 0 1 440.521 4.076 40 0 IIABMN CC(C)N1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3cccc(F)c3)C2)C1 ZINC000585107520 557038593 /nfs/dbraw/zinc/03/85/93/557038593.db2.gz YTGVWKPQEBGNLT-MHZLTWQESA-N 0 1 446.570 4.474 40 0 IIABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)c1C ZINC000409407990 557107569 /nfs/dbraw/zinc/10/75/69/557107569.db2.gz BJFPUWMUUDKLES-UHFFFAOYSA-N 0 1 429.929 4.083 40 0 IIABMN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102706715 557133244 /nfs/dbraw/zinc/13/32/44/557133244.db2.gz RHSRUBXZYIKUKT-KMDXXIMOSA-N 0 1 428.488 4.363 40 0 IIABMN CCCCOC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(OC)cc3)n[nH]2)cc1 ZINC000021137702 557136799 /nfs/dbraw/zinc/13/67/99/557136799.db2.gz WQSBNDGYMSDKRE-UHFFFAOYSA-N 0 1 440.525 4.168 40 0 IIABMN CC(C)CN1CC2(CCN(Cc3ccsc3)CC2)COc2ccccc2S1(=O)=O ZINC000096037152 557164200 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ZINC000257210988 568670005 /nfs/dbraw/zinc/67/00/05/568670005.db2.gz BWZORSGZSASTBX-RBBKRZOGSA-N 0 1 425.573 4.350 40 0 IIABMN COc1ccccc1S(=O)(=O)N1CCC(c2cc(Nc3ccccn3)cc(C)n2)CC1 ZINC000257229219 568678508 /nfs/dbraw/zinc/67/85/08/568678508.db2.gz FXGGQIOWIOSAJC-UHFFFAOYSA-N 0 1 438.553 4.106 40 0 IIABMN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2Cc1ccc(C(=O)[O-])cc1 ZINC000257235053 568681538 /nfs/dbraw/zinc/68/15/38/568681538.db2.gz GWFFCTBZYDRJHS-VJIOPBFVSA-N 0 1 432.564 4.360 40 0 IIABMN Cc1csc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)Cc4c(C)noc4C)C3)c2)n1 ZINC000257264798 568695285 /nfs/dbraw/zinc/69/52/85/568695285.db2.gz LWBAJSYJPHXAHS-QGZVFWFLSA-N 0 1 425.558 4.452 40 0 IIABMN Cc1ncsc1C(=O)N1CCO[C@@H](c2cc(CCOc3ccc(C(C)C)cc3)[nH]n2)C1 ZINC000257329992 568724367 /nfs/dbraw/zinc/72/43/67/568724367.db2.gz XMHWZGLYEJGTIZ-OAQYLSRUSA-N 0 1 440.569 4.133 40 0 IIABMN CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCC[N@@H+](Cc4ccccc4OCC(=O)[O-])[C@H]3C[C@@H]21 ZINC000257335264 568726632 /nfs/dbraw/zinc/72/66/32/568726632.db2.gz YJJPKURRNBXDFJ-WXAIXHMISA-N 0 1 437.536 4.432 40 0 IIABMN CCS(=O)(=O)c1ccc(O)c(NC(=O)CCCOc2ccc(Cl)cc2Cl)c1 ZINC000001886748 568788507 /nfs/dbraw/zinc/78/85/07/568788507.db2.gz ZHUZVAVBOJZQNM-UHFFFAOYSA-N 0 1 432.325 4.290 40 0 IIABMN Cc1cccc(C2(C(=O)N3CC[C@@H](c4ccc5c(n[nH]c5NC(C)C)n4)C3)CCOCC2)c1 ZINC000019705078 569233844 /nfs/dbraw/zinc/23/38/44/569233844.db2.gz ALIUMWMCMDLLJW-LJQANCHMSA-N 0 1 447.583 4.151 40 0 IIABMN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2cccnc2)n1 ZINC000328977242 569583295 /nfs/dbraw/zinc/58/32/95/569583295.db2.gz FSIBZODUEDXFQN-QGZVFWFLSA-N 0 1 434.327 4.723 40 0 IIABMN COc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(C3CCCCC3)nn2C)cc1 ZINC000012602043 291383206 /nfs/dbraw/zinc/38/32/06/291383206.db2.gz KKAZIKASZHKBKA-XJUOHMSHSA-N 0 1 436.600 4.084 40 0 biogenic,in-vitro IIABMN COc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(C3CCCCC3)nn2C)cc1 ZINC000012602043 291383208 /nfs/dbraw/zinc/38/32/08/291383208.db2.gz KKAZIKASZHKBKA-XJUOHMSHSA-N 0 1 436.600 4.084 40 0 biogenic,in-vitro IIABMN O=C(CN1CCC(c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)CC1)N1CCCC1 ZINC000072348790 526730474 /nfs/dbraw/zinc/73/04/74/526730474.db2.gz LRCQAIBLTHWMQP-UHFFFAOYSA-N 0 1 431.502 4.493 40 0 IIABMN COc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)N1CCCCC1 ZINC000408693010 556092682 /nfs/dbraw/zinc/09/26/82/556092682.db2.gz AZVBZCOEBHSUCI-UHFFFAOYSA-N 0 1 442.459 4.141 40 0 IIABMN CCOc1cccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000030873013 556514066 /nfs/dbraw/zinc/51/40/66/556514066.db2.gz LBOZJMPCBMZDOU-UHFFFAOYSA-N 0 1 444.940 4.470 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C)c(C)c2)cc1 ZINC000015437348 556527523 /nfs/dbraw/zinc/52/75/23/556527523.db2.gz WHCIXLZKQMXVSW-UHFFFAOYSA-N 0 1 440.521 4.130 40 0 IIABMN COc1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000100799114 556591240 /nfs/dbraw/zinc/59/12/40/556591240.db2.gz IUBITZYLXRRGMJ-FSSWDIPSSA-N 0 1 434.879 4.400 40 0 IIABMN CC[C@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856979 556672943 /nfs/dbraw/zinc/67/29/43/556672943.db2.gz AANBERVWZWRWII-QFIPXVFZSA-N 0 1 449.016 4.223 40 0 IIABMN COc1cccc(OC)c1CN1CCC[C@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019081819 556696370 /nfs/dbraw/zinc/69/63/70/556696370.db2.gz VJDMTAOEFWWAEZ-FDDCHVKYSA-N 0 1 425.573 4.214 40 0 IIABMN COc1cc(CN2CCC(c3nc(C)cc(-c4nccs4)n3)CC2)cc(OC)c1OC ZINC000019118650 556700646 /nfs/dbraw/zinc/70/06/46/556700646.db2.gz MXLOGGWGAXBCPA-UHFFFAOYSA-N 0 1 440.569 4.314 40 0 IIABMN Cc1cccc(C(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)c1 ZINC000019234425 556718524 /nfs/dbraw/zinc/71/85/24/556718524.db2.gz SZLZEYSEEMKUDA-QFIPXVFZSA-N 0 1 448.592 4.066 40 0 IIABMN CCCN1CCN(Cc2cccc(C)n2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503344 556775005 /nfs/dbraw/zinc/77/50/05/556775005.db2.gz DLXOOVCHRAONAN-DEOSSOPVSA-N 0 1 428.580 4.365 40 0 IIABMN Cc1ccc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1C ZINC000001380588 556796601 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40 0 IIABMN O=C(CN1CCC(c2ccnc3nc4ccccc4n32)CC1)NC12CC3CC(CC(C3)C1)C2 ZINC000072341941 556914319 /nfs/dbraw/zinc/91/43/19/556914319.db2.gz JIQJYMMATGFQAA-UHFFFAOYSA-N 0 1 443.595 4.147 40 0 IIABMN CC(C)NC(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1CC(=O)N1CCC1 ZINC000072370698 556935890 /nfs/dbraw/zinc/93/58/90/556935890.db2.gz ILTKDQURJRSHKO-GOSISDBHSA-N 0 1 427.614 4.059 40 0 IIABMN O=C(COc1ccccc1)N1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371274 556937961 /nfs/dbraw/zinc/93/79/61/556937961.db2.gz LCVSNKNYSQRSMK-QGZVFWFLSA-N 0 1 425.916 4.080 40 0 IIABMN Cc1cc(C)nc(N2CC[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)n1 ZINC000072371400 556938207 /nfs/dbraw/zinc/93/82/07/556938207.db2.gz QQMWWXDURYQZGE-MRXNPFEDSA-N 0 1 431.462 4.451 40 0 IIABMN CN(C)c1cccc(C(=O)N2CC[C@@H](c3cc(CCOc4ccc(F)c(F)c4)[nH]n3)C2)c1 ZINC000072371348 556938230 /nfs/dbraw/zinc/93/82/30/556938230.db2.gz RJXPHENDCULSAE-QGZVFWFLSA-N 0 1 440.494 4.005 40 0 IIABMN O=C(c1cccc2cccnc21)N1CC[C@@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 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COc1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000136132215 557459502 /nfs/dbraw/zinc/45/95/02/557459502.db2.gz IUBITZYLXRRGMJ-FDFHNCONSA-N 0 1 434.879 4.400 40 0 IIABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000137880479 557459854 /nfs/dbraw/zinc/45/98/54/557459854.db2.gz OJWSVBCPLATMAB-FDFHNCONSA-N 0 1 434.879 4.400 40 0 IIABMN Cn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c(Cl)cc21 ZINC000223345324 557460919 /nfs/dbraw/zinc/46/09/19/557460919.db2.gz MPGLLEZAVBBOHA-UHFFFAOYSA-N 0 1 441.214 4.258 40 0 IIABMN COc1cc2c(cc1S(=O)(=O)Nc1ccc(C(=O)N3CCCCC3)cc1)CCCC2 ZINC000224916352 557666817 /nfs/dbraw/zinc/66/68/17/557666817.db2.gz FKZHTFFZEZBUEA-UHFFFAOYSA-N 0 1 428.554 4.001 40 0 IIABMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(Cc2ccncc2)cc1 ZINC000225175148 557696499 /nfs/dbraw/zinc/69/64/99/557696499.db2.gz CXIQKMNOLYUFNG-UHFFFAOYSA-N 0 1 433.327 4.244 40 0 IIABMN CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@@H+](Cc3cc(C)c(OC)cc3C)C2)nc1C ZINC000257202378 568666378 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KMWIFWADHMTZMB-QFIPXVFZSA-N 0 1 435.959 4.378 40 0 IIABMN COc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5cccnc5)C4)nn3c2)c1OC ZINC000306133046 568767556 /nfs/dbraw/zinc/76/75/56/568767556.db2.gz MACMWYSPAJSYLV-FQEVSTJZSA-N 0 1 429.524 4.188 40 0 IIABMN CCn1cc(CN2CCC[C@H](c3nc4ccc(-c5cccc(OC)c5OC)cn4n3)C2)cn1 ZINC000306144060 568773671 /nfs/dbraw/zinc/77/36/71/568773671.db2.gz YUYJZIDOOYWGQG-FQEVSTJZSA-N 0 1 446.555 4.010 40 0 IIABMN CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000328990363 568808493 /nfs/dbraw/zinc/80/84/93/568808493.db2.gz IOHUDRFILKDFLI-GOSISDBHSA-N 0 1 433.394 4.354 40 0 IIABMN O=C(c1cc(-c2ccc(F)cc2)[nH]n1)N1CCN(Cc2csc(-c3ccccc3)n2)CC1 ZINC000038908053 568896309 /nfs/dbraw/zinc/89/63/09/568896309.db2.gz GWYPHDXODZKDTB-UHFFFAOYSA-N 0 1 447.539 4.297 40 0 IIABMN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)N2C=Cc4ccccc4[C@@H]32)c1 ZINC000103530147 568897254 /nfs/dbraw/zinc/89/72/54/568897254.db2.gz XXAKPPYKBYUAGJ-LUKWVAJMSA-N 0 1 428.532 4.434 40 0 IIABMN O=C(NCc1cccnc1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000009063543 569219897 /nfs/dbraw/zinc/21/98/97/569219897.db2.gz PCWHJBRWRDROPD-UHFFFAOYSA-N 0 1 446.526 4.001 40 0 IIABMN CC[C@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000009973109 569220260 /nfs/dbraw/zinc/22/02/60/569220260.db2.gz BRUCODSCEXRUSD-RKPNYOAGSA-N 0 1 444.940 4.357 40 0 IIABMN Cc1ccc(-c2cc(C[C@@]3(C(=O)NCC(C)C)CCCN3Cc3ccccn3)on2)cc1 ZINC000019696507 569229779 /nfs/dbraw/zinc/22/97/79/569229779.db2.gz PFYICMJICFQLJV-AREMUKBSSA-N 0 1 432.568 4.395 40 0 IIABMN COc1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c(OC)c1 ZINC000020241760 569241152 /nfs/dbraw/zinc/24/11/52/569241152.db2.gz PXTLCIUQHLIRSU-UHFFFAOYSA-N 0 1 431.536 4.278 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 ZINC000026118599 569242467 /nfs/dbraw/zinc/24/24/67/569242467.db2.gz BTKFQKCQUOGIFS-UHFFFAOYSA-N 0 1 448.610 4.398 40 0 IIABMN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000017886714 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4.076 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2cccc(Cl)c2)cc1 ZINC000015437441 556527851 /nfs/dbraw/zinc/52/78/51/556527851.db2.gz XKPXJUMOMGSTEH-UHFFFAOYSA-N 0 1 446.912 4.167 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000100799151 556591234 /nfs/dbraw/zinc/59/12/34/556591234.db2.gz PUCZXUVHKHVZFL-SGNDLWITSA-N 0 1 444.487 4.063 40 0 IIABMN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000038754722 556617277 /nfs/dbraw/zinc/61/72/77/556617277.db2.gz TULRLUAUXRKZBA-MRXNPFEDSA-N 0 1 427.551 4.143 40 0 IIABMN O=C1O[C@]2(CCN(Cc3ccccc3OCc3ccccn3)C2)CN1Cc1ccccc1 ZINC000257310941 556718538 /nfs/dbraw/zinc/71/85/38/556718538.db2.gz UHGRFBQODVIEEH-SANMLTNESA-N 0 1 429.520 4.258 40 0 IIABMN O=C(c1ccc(F)c(F)c1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019292802 556732142 /nfs/dbraw/zinc/73/21/42/556732142.db2.gz AWKSFCUWYRBYJJ-OAQYLSRUSA-N 0 1 442.510 4.129 40 0 IIABMN CC(C)Cc1cc(C(=O)N2CCC(c3nc(NC(C)C)ncc3-c3ccncc3)CC2)n[nH]1 ZINC000019447393 556756668 /nfs/dbraw/zinc/75/66/68/556756668.db2.gz PHHMWGMPBCVBME-UHFFFAOYSA-N 0 1 447.587 4.300 40 0 IIABMN CCOc1ncc(C2(O)CCN(Cc3ccc(-c4ccccc4F)o3)CC2)c(OCC)n1 ZINC000019531733 556792335 /nfs/dbraw/zinc/79/23/35/556792335.db2.gz XMZWVASHEUJQGI-UHFFFAOYSA-N 0 1 441.503 4.157 40 0 IIABMN COc1ccc(OC)c(CN2CCC([C@@H](NC(=O)C3CCCC3)c3ccccn3)CC2)c1 ZINC000019551462 556795722 /nfs/dbraw/zinc/79/57/22/556795722.db2.gz SXVMGNDPJXXTCI-RUZDIDTESA-N 0 1 437.584 4.359 40 0 IIABMN CCc1ccc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)cc1 ZINC000001380586 556796665 /nfs/dbraw/zinc/79/66/65/556796665.db2.gz DGMLBIZWNSAXHU-UHFFFAOYSA-N 0 1 431.462 4.288 40 0 IIABMN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)C[C@@H]2O ZINC000019563011 556804073 /nfs/dbraw/zinc/80/40/73/556804073.db2.gz HDDASCPPCRHHDJ-PMACEKPBSA-N 0 1 438.351 4.386 40 0 IIABMN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cc(CCOc3cccc(F)c3)[nH]n2)cc1 ZINC000019703644 556862239 /nfs/dbraw/zinc/86/22/39/556862239.db2.gz ZPRLDLBFDTVYGM-HSZRJFAPSA-N 0 1 436.487 4.106 40 0 IIABMN Cc1nn(C)c(C)c1CCNC(=O)CC1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000072344540 556915047 /nfs/dbraw/zinc/91/50/47/556915047.db2.gz PUDXJHJFRRHUCA-UHFFFAOYSA-N 0 1 436.522 4.017 40 0 IIABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@H](c4cc(-c5ccc(N)nc5)cc(C)n4)C3)c2c1 ZINC000072353790 556928259 /nfs/dbraw/zinc/92/82/59/556928259.db2.gz IDYKAXPELXIXHI-SFHVURJKSA-N 0 1 426.524 4.239 40 0 IIABMN NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1C(=O)c1nc2ccc(F)cc2[nH]1 ZINC000072370393 556934661 /nfs/dbraw/zinc/93/46/61/556934661.db2.gz WLIBKFZEBACYPG-AWEZNQCLSA-N 0 1 436.512 4.253 40 0 IIABMN CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1C(=O)CN1CCCCC1 ZINC000072370730 556936354 /nfs/dbraw/zinc/93/63/54/556936354.db2.gz LOOSEHXVGBILEC-LJQANCHMSA-N 0 1 441.641 4.403 40 0 IIABMN COc1ccc(CC(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cc1 ZINC000072371361 556938252 /nfs/dbraw/zinc/93/82/52/556938252.db2.gz XGXRTGSQEYHEHU-SFHVURJKSA-N 0 1 439.943 4.252 40 0 IIABMN Cc1cccn2cc(C(=O)N3CC[C@H](c4cc(CCOc5cccc(Cl)c5)[nH]n4)C3)nc12 ZINC000072371747 556940874 /nfs/dbraw/zinc/94/08/74/556940874.db2.gz QXDXXFQSTAZDIO-KRWDZBQOSA-N 0 1 449.942 4.270 40 0 IIABMN COc1cc(OC)cc(-c2n[nH]c(SCc3nnc(-c4ccc(Cl)cc4)o3)n2)c1 ZINC000019928967 556946923 /nfs/dbraw/zinc/94/69/23/556946923.db2.gz YNPHVXPCUJKVGL-UHFFFAOYSA-N 0 1 429.889 4.485 40 0 IIABMN COc1cccc(CC(=O)N2CCC[C@@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)c1 ZINC000072374515 556948204 /nfs/dbraw/zinc/94/82/04/556948204.db2.gz LLZLVQWYHDJXEJ-HSZRJFAPSA-N 0 1 441.535 4.485 40 0 IIABMN COc1ccc([C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1OC ZINC000022942024 557053996 /nfs/dbraw/zinc/05/39/96/557053996.db2.gz PIKMDZDCXCAPEF-XMMPIXPASA-N 0 1 432.564 4.144 40 0 investigational IIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)c(C)c1 ZINC000409412561 557108735 /nfs/dbraw/zinc/10/87/35/557108735.db2.gz XOCPZGJMTRYGTH-UHFFFAOYSA-N 0 1 429.929 4.083 40 0 IIABMN C[C@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000216264329 557141825 /nfs/dbraw/zinc/14/18/25/557141825.db2.gz WVDWHRMGGMVPJL-KRWDZBQOSA-N 0 1 447.516 4.442 40 0 IIABMN Cc1ccc(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000026781400 557248479 /nfs/dbraw/zinc/24/84/79/557248479.db2.gz QUVORWIOPONFPL-SANMLTNESA-N 0 1 430.592 4.450 40 0 IIABMN O=C(Nc1ccc2c(c1)OCCO2)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000014154655 557426456 /nfs/dbraw/zinc/42/64/56/557426456.db2.gz UKOYSJVZBHZXEY-UHFFFAOYSA-N 0 1 444.896 4.164 40 0 IIABMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2o1 ZINC000223326821 557459487 /nfs/dbraw/zinc/45/94/87/557459487.db2.gz STQFFVJJEHELLA-UHFFFAOYSA-N 0 1 427.187 4.248 40 0 IIABMN CC[C@@H](Oc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1 ZINC000224576507 557626415 /nfs/dbraw/zinc/62/64/15/557626415.db2.gz HMZWJHIEYYEMIM-OAQYLSRUSA-N 0 1 440.521 4.292 40 0 IIABMN O=C(NCC1(c2ccccc2)CCOCC1)C1CCN(Cc2cccc(Cl)c2)CC1 ZINC000224897610 557664306 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IIABMN COc1ccc(C)cc1CN1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000019133401 569226184 /nfs/dbraw/zinc/22/61/84/569226184.db2.gz UIALLSRHFRDELP-PGRDOPGGSA-N 0 1 436.581 4.238 40 0 IIABMN Cc1cc2nc(CC(=O)N3CC[C@@H](c4cc(COc5ccccc5F)n[nH]4)C3)[nH]c2c(C)c1 ZINC000019704623 569233462 /nfs/dbraw/zinc/23/34/62/569233462.db2.gz IHCNPDRVJLCNQK-QGZVFWFLSA-N 0 1 447.514 4.180 40 0 IIABMN Cc1nc2ccccn2c1CN1CC[C@@H](c2nc(C)c3c(n2)N(CCC(C)C)C(=O)CC3)C1 ZINC000019738978 569236355 /nfs/dbraw/zinc/23/63/55/569236355.db2.gz NFZJGJCPLNEOOO-HXUWFJFHSA-N 0 1 446.599 4.056 40 0 IIABMN COc1ccc(CN2CCC(c3ncc(C(=O)Nc4ccccc4)c(C)n3)CC2)cc1OC ZINC000019764191 569238346 /nfs/dbraw/zinc/23/83/46/569238346.db2.gz XVYORSMHQZTGAZ-UHFFFAOYSA-N 0 1 446.551 4.434 40 0 IIABMN COc1ccc(OC)c(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1 ZINC000020241762 569241232 /nfs/dbraw/zinc/24/12/32/569241232.db2.gz UVNDDQZLXOPMLC-UHFFFAOYSA-N 0 1 431.536 4.278 40 0 IIABMN O=S(=O)(NC[C@H](NCCOc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000059121228 569459258 /nfs/dbraw/zinc/45/92/58/569459258.db2.gz WHZMKPBLYZUEBD-QFIPXVFZSA-N 0 1 430.957 4.028 40 0 IIABMN COc1ccc(CN2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)cc1OC ZINC000012329256 524029103 /nfs/dbraw/zinc/02/91/03/524029103.db2.gz WULDEAHNZMYPCP-QUCCMNQESA-N 0 1 448.485 4.459 40 0 IIABMN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCCN(C(=O)c4nc5ccc(F)cc5[nH]4)C3)cc2n1 ZINC000012221501 524202882 /nfs/dbraw/zinc/20/28/82/524202882.db2.gz WXLAPKJADHPLPI-GFCCVEGCSA-N 0 1 446.408 4.092 40 0 IIABMN Cc1cc(C[N@H+]2CCc3nc4cc(C(C)(C)C)[n-]n4c(=O)c3C2)c(C)n1Cc1cccnc1 ZINC000012142931 524710411 /nfs/dbraw/zinc/71/04/11/524710411.db2.gz PDNRAOJJUCAKGV-UHFFFAOYSA-N 0 1 444.583 4.152 40 0 IIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c1 ZINC000408574353 555925212 /nfs/dbraw/zinc/92/52/12/555925212.db2.gz HEVJNFYZCXOBTE-UHFFFAOYSA-N 0 1 426.494 4.065 40 0 IIABMN COC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1Cl ZINC000408598213 555956512 /nfs/dbraw/zinc/95/65/12/555956512.db2.gz YASRAXUHXVHNHT-UHFFFAOYSA-N 0 1 447.896 4.485 40 0 IIABMN CCCC1=C(C(=O)OCC)[C@@H](c2ccc(OCc3ccccc3)c(OC)c2)NC(=S)N1 ZINC000408602324 555971368 /nfs/dbraw/zinc/97/13/68/555971368.db2.gz BRTSBDIGULETMN-JOCHJYFZSA-N 0 1 440.565 4.410 40 0 IIABMN COc1ccc(Cl)cc1C(=O)N1CC[NH+]([C@H](CCC(=O)[O-])c2ccc(C)cc2)CC1 ZINC000408603919 555973442 /nfs/dbraw/zinc/97/34/42/555973442.db2.gz CBMVFCBZSAAVBJ-HXUWFJFHSA-N 0 1 430.932 4.021 40 0 IIABMN CCOC(=O)C1(c2ccccc2)CCN(C[C@H](O)COc2cc(C)ccc2C(C)C)CC1 ZINC000005179442 556035506 /nfs/dbraw/zinc/03/55/06/556035506.db2.gz CVUZDESWDDVEBS-QHCPKHFHSA-N 0 1 439.596 4.455 40 0 IIABMN CC(C)OC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccccc2Cl)n[nH]1 ZINC000009198376 556256448 /nfs/dbraw/zinc/25/64/48/556256448.db2.gz GAGFWOSOXMVTAP-UHFFFAOYSA-N 0 1 430.917 4.421 40 0 IIABMN CCOC(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1C ZINC000010112285 556325893 /nfs/dbraw/zinc/32/58/93/556325893.db2.gz UUILGTSEQRNNKA-UHFFFAOYSA-N 0 1 438.505 4.225 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(F)cc2)cc1 ZINC000015437597 556527947 /nfs/dbraw/zinc/52/79/47/556527947.db2.gz WFPLVAZFFPPTLD-OVCLIPMQSA-N 0 1 426.469 4.287 40 0 IIABMN CCOC(=O)c1ccc(C)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000013675485 556554012 /nfs/dbraw/zinc/55/40/12/556554012.db2.gz LXONTWHZBPVTSH-UHFFFAOYSA-N 0 1 438.505 4.225 40 0 IIABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2C)cc1 ZINC000100799380 556591532 /nfs/dbraw/zinc/59/15/32/556591532.db2.gz DDTYIZYWMBBEOU-HJOGWXRNSA-N 0 1 428.488 4.363 40 0 IIABMN COc1ccc(CCCNC(=O)C2CCN(Cc3cccc(Cl)c3)CC2)cc1OC ZINC000044851748 556670760 /nfs/dbraw/zinc/67/07/60/556670760.db2.gz GGDBWQDSWFSQSX-UHFFFAOYSA-N 0 1 430.976 4.318 40 0 IIABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000018164949 556685632 /nfs/dbraw/zinc/68/56/32/556685632.db2.gz YZCWRZXLAXRNDP-HJOGWXRNSA-N 0 1 444.487 4.063 40 0 IIABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000018164949 556685635 /nfs/dbraw/zinc/68/56/35/556685635.db2.gz YZCWRZXLAXRNDP-HJOGWXRNSA-N 0 1 444.487 4.063 40 0 IIABMN Cc1cc(-c2cnc(N3CCN(Cc4ccccc4)CC3)nc2-c2cccnc2C)on1 ZINC000019124049 556702479 /nfs/dbraw/zinc/70/24/79/556702479.db2.gz REUBZCIGEFUUSF-UHFFFAOYSA-N 0 1 426.524 4.133 40 0 IIABMN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)cc1 ZINC000019135451 556706118 /nfs/dbraw/zinc/70/61/18/556706118.db2.gz VWVQCGNSMJRCQH-HSZRJFAPSA-N 0 1 434.584 4.137 40 0 IIABMN Cc1ccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)cc1 ZINC000019135451 556706121 /nfs/dbraw/zinc/70/61/21/556706121.db2.gz VWVQCGNSMJRCQH-HSZRJFAPSA-N 0 1 434.584 4.137 40 0 IIABMN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000013648619 556707477 /nfs/dbraw/zinc/70/74/77/556707477.db2.gz RHSRUBXZYIKUKT-HJOGWXRNSA-N 0 1 428.488 4.363 40 0 IIABMN CC(=O)N1Cc2cc(C)ccc2O[C@]2(CCCN(CCCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219472 556713759 /nfs/dbraw/zinc/71/37/59/556713759.db2.gz GCDMZJNFMVQIJJ-SANMLTNESA-N 0 1 438.543 4.373 40 0 IIABMN Cc1cccc2c1[nH]c([C@@H]1CCCN(C(=O)[C@H](C)CN3CCOCC3)C1)c2-c1ccncc1 ZINC000019236508 556721127 /nfs/dbraw/zinc/72/11/27/556721127.db2.gz USHNZPHAQUHSDY-IFMALSPDSA-N 0 1 446.595 4.213 40 0 IIABMN CC[C@@H]1C[C@H](C(F)(F)F)n2nc(C3CCN(C(=O)c4cc(C(C)C)[nH]n4)CC3)cc2N1 ZINC000019520822 556777433 /nfs/dbraw/zinc/77/74/33/556777433.db2.gz RYCFOEHFANXQAJ-RDTXWAMCSA-N 0 1 438.498 4.447 40 0 IIABMN CCCc1ncc(CN2CCC(c3cc4nc(CC)cc(C(F)(F)F)n4n3)CC2)cn1 ZINC000019525740 556783454 /nfs/dbraw/zinc/78/34/54/556783454.db2.gz XVMRRUFPTXKOSC-UHFFFAOYSA-N 0 1 432.494 4.433 40 0 IIABMN COCCc1ncc(CN2CCC(c3ccc(Cc4ccc(OC)cc4)cn3)CC2)cn1 ZINC000019690396 556846303 /nfs/dbraw/zinc/84/63/03/556846303.db2.gz YPTMRTHRKTZQDF-UHFFFAOYSA-N 0 1 432.568 4.040 40 0 IIABMN O=C(c1cccnc1)N1CCC(c2ccc3c(n[nH]c3NCc3ccccc3F)n2)CC1 ZINC000019695903 556853005 /nfs/dbraw/zinc/85/30/05/556853005.db2.gz VTDTZZLRPYXNJM-UHFFFAOYSA-N 0 1 430.487 4.124 40 0 IIABMN CC(=O)Nc1ccc(C(=O)N2CCC[C@@H]2c2cc(CCOc3ccccc3F)[nH]n2)cc1 ZINC000019703642 556862280 /nfs/dbraw/zinc/86/22/80/556862280.db2.gz JXDKMOKGZCJDCI-JOCHJYFZSA-N 0 1 436.487 4.106 40 0 IIABMN Cc1oc2c(c1C(=O)N1CCC[C@@H](c3cc(C(F)(F)F)c4c(N)[nH]nc4n3)C1)CCCC2 ZINC000019742156 556885972 /nfs/dbraw/zinc/88/59/72/556885972.db2.gz PYDLNZURLGUFLE-GFCCVEGCSA-N 0 1 447.461 4.359 40 0 IIABMN O=C(NCCO)c1cc([C@H]2CCN(Cc3cccc(Cl)c3Cl)C2)nc2ccccc21 ZINC000019761883 556905585 /nfs/dbraw/zinc/90/55/85/556905585.db2.gz IJJPUBDYKFRTIC-HNNXBMFYSA-N 0 1 444.362 4.253 40 0 IIABMN CNc1ncccc1CN1CCC[C@@H]([C@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000072330517 556906206 /nfs/dbraw/zinc/90/62/06/556906206.db2.gz ZEPZIXAPDGWRED-XXBNENTESA-N 0 1 433.531 4.041 40 0 IIABMN COc1ccc(C(=O)N2CCCC[C@H]2c2nc3ccc(C)cc3[nH]2)cc1Cn1cccn1 ZINC000072346797 556918005 /nfs/dbraw/zinc/91/80/05/556918005.db2.gz OOESSKXVYDQESF-QFIPXVFZSA-N 0 1 429.524 4.492 40 0 IIABMN COc1ccc(C(=O)N2CCCC[C@@H]2c2nc3ccc(C)cc3[nH]2)cc1Cn1cccn1 ZINC000072346798 556918017 /nfs/dbraw/zinc/91/80/17/556918017.db2.gz OOESSKXVYDQESF-JOCHJYFZSA-N 0 1 429.524 4.492 40 0 IIABMN CCN(CC)C(=O)CN1CCCCC[C@@H]1Cc1c2ccccc2sc1C(=O)N(C)C ZINC000072370713 556936343 /nfs/dbraw/zinc/93/63/43/556936343.db2.gz CSHFQXJEBBDEDD-GOSISDBHSA-N 0 1 429.630 4.259 40 0 IIABMN CCN(CC)C(=O)CN1CCCCC[C@H]1Cc1c2ccccc2sc1C(=O)N(C)C ZINC000072370714 556936410 /nfs/dbraw/zinc/93/64/10/556936410.db2.gz CSHFQXJEBBDEDD-SFHVURJKSA-N 0 1 429.630 4.259 40 0 IIABMN COc1ccc(CC(=O)N2CC[C@@H](c3cc(CCOc4cccc(Cl)c4)[nH]n3)C2)cc1 ZINC000072371364 556938243 /nfs/dbraw/zinc/93/82/43/556938243.db2.gz VBPIUTHEQFBGLY-GOSISDBHSA-N 0 1 439.943 4.252 40 0 IIABMN Cc1cc(N2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)nc(C)n1 ZINC000072371424 556938583 /nfs/dbraw/zinc/93/85/83/556938583.db2.gz FHWMTYVRTSPPRF-MRXNPFEDSA-N 0 1 431.462 4.451 40 0 IIABMN CCn1ccnc1CN1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371756 556940748 /nfs/dbraw/zinc/94/07/48/556940748.db2.gz VYHIJSNTVALIBD-MRXNPFEDSA-N 0 1 433.478 4.256 40 0 IIABMN COc1ccc(-c2nnc(CSc3nc(-c4ccc(Cl)cc4)n[nH]3)o2)cc1OC ZINC000019928773 556946666 /nfs/dbraw/zinc/94/66/66/556946666.db2.gz MOKRKHNAWRCHEF-UHFFFAOYSA-N 0 1 429.889 4.485 40 0 IIABMN CC(C)N(C(=O)CN1CCC(c2ccc(Nc3ncccn3)cn2)CC1)C1CCCCC1 ZINC000072374334 556947887 /nfs/dbraw/zinc/94/78/87/556947887.db2.gz LVUIPNKAHMEODI-UHFFFAOYSA-N 0 1 436.604 4.364 40 0 IIABMN COc1ccccc1/C=C/CN1CCC([C@H](NC(=O)c2ccccn2)c2nccs2)CC1 ZINC000072394622 556966135 /nfs/dbraw/zinc/96/61/35/556966135.db2.gz JYKKCJZZRBWTJZ-DRGXBFSJSA-N 0 1 448.592 4.443 40 0 IIABMN COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3cccc(C)c3)c2)cc1 ZINC000409410638 557103773 /nfs/dbraw/zinc/10/37/73/557103773.db2.gz ZALDUNDYRBXXBK-UHFFFAOYSA-N 0 1 444.940 4.388 40 0 IIABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000102692887 557131212 /nfs/dbraw/zinc/13/12/12/557131212.db2.gz YZCWRZXLAXRNDP-TZRRMPRUSA-N 0 1 444.487 4.063 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccc(OC)cc2)cc1 ZINC000102692887 557131216 /nfs/dbraw/zinc/13/12/16/557131216.db2.gz YZCWRZXLAXRNDP-TZRRMPRUSA-N 0 1 444.487 4.063 40 0 IIABMN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102724286 557131343 /nfs/dbraw/zinc/13/13/43/557131343.db2.gz BQFOUNRVJDTJHS-KMDXXIMOSA-N 0 1 444.487 4.069 40 0 IIABMN COc1cc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102724286 557131346 /nfs/dbraw/zinc/13/13/46/557131346.db2.gz BQFOUNRVJDTJHS-KMDXXIMOSA-N 0 1 444.487 4.069 40 0 IIABMN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102728743 557131882 /nfs/dbraw/zinc/13/18/82/557131882.db2.gz NCHDXFHHGQEGQN-KMDXXIMOSA-N 0 1 444.487 4.063 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 ZINC000008810870 557173517 /nfs/dbraw/zinc/17/35/17/557173517.db2.gz NIYMETPFRQCCRO-UHFFFAOYSA-N 0 1 432.448 4.335 40 0 IIABMN CN1CCCN(C(=O)c2cc(-c3csc(Cc4ccccc4)n3)n3ccccc23)CC1 ZINC000096154870 557178962 /nfs/dbraw/zinc/17/89/62/557178962.db2.gz REKVILMLOFSVAI-UHFFFAOYSA-N 0 1 430.577 4.431 40 0 IIABMN Cc1cc(S(=O)(=O)Nc2cccc3ccccc32)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585911 557356143 /nfs/dbraw/zinc/35/61/43/557356143.db2.gz MHYGOLAWVKLCOV-UHFFFAOYSA-N 0 1 440.546 4.296 40 0 IIABMN COc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1C(=O)N1CCCCCC1 ZINC000113939946 557379722 /nfs/dbraw/zinc/37/97/22/557379722.db2.gz QCCVHZHIUBZHRP-UHFFFAOYSA-N 0 1 446.569 4.299 40 0 IIABMN COc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)cc1 ZINC000014155318 557426888 /nfs/dbraw/zinc/42/68/88/557426888.db2.gz ZJYBPRFUQKKWLX-UHFFFAOYSA-N 0 1 444.940 4.388 40 0 IIABMN COc1ccc(S(=O)(=O)Nc2ccc(N3CCCC3=O)c(C)c2)c(Cl)c1Cl ZINC000223638796 557495121 /nfs/dbraw/zinc/49/51/21/557495121.db2.gz YOJRJHBSFVPPSF-UHFFFAOYSA-N 0 1 429.325 4.238 40 0 IIABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccccc1 ZINC000028206622 557646620 /nfs/dbraw/zinc/64/66/20/557646620.db2.gz CVHLESHAEBXKCO-UHFFFAOYSA-N 0 1 442.924 4.352 40 0 IIABMN COc1cc2c(cc1S(=O)(=O)Nc1ccc3c(c1)sc(=O)n3C(C)C)CCCC2 ZINC000225180773 557696957 /nfs/dbraw/zinc/69/69/57/557696957.db2.gz BIJLOXRLOPXGSZ-UHFFFAOYSA-N 0 1 432.567 4.332 40 0 IIABMN O=C(NCCSc1nc(-c2ccccc2)n[nH]1)c1cc(-c2ccc(Cl)cc2)on1 ZINC000225898647 557789390 /nfs/dbraw/zinc/78/93/90/557789390.db2.gz LGSPIWCXVULZFX-UHFFFAOYSA-N 0 1 425.901 4.302 40 0 IIABMN CCOc1cc(C=C2C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)ccc1OCC#N ZINC000033769702 557810684 /nfs/dbraw/zinc/81/06/84/557810684.db2.gz OQFUERMLQREUNY-QGOAFFKASA-N 0 1 435.505 4.222 40 0 IIABMN COc1ccc(CCN2CCO[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cc1 ZINC000257202300 568666052 /nfs/dbraw/zinc/66/60/52/568666052.db2.gz ALESNWSNGRFGSI-DEOSSOPVSA-N 0 1 441.959 4.309 40 0 IIABMN Cc1cc(C)nc(N2CCO[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)n1 ZINC000257218727 568673642 /nfs/dbraw/zinc/67/36/42/568673642.db2.gz DEGBOYSFQSCVRC-FQEVSTJZSA-N 0 1 447.461 4.035 40 0 IIABMN CCOc1cc2c(cc1CN1CCC(c3cncc(Nc4cnccn4)n3)CC1)O[C@@H](C)C2 ZINC000257300669 568711544 /nfs/dbraw/zinc/71/15/44/568711544.db2.gz RVGDJIVCNQNXQK-KRWDZBQOSA-N 0 1 446.555 4.112 40 0 IIABMN CC(C)(C)c1n[nH]cc1CN1CCO[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000257336329 568727076 /nfs/dbraw/zinc/72/70/76/568727076.db2.gz YNYYMJRGPDGLAD-NRFANRHFSA-N 0 1 443.979 4.279 40 0 IIABMN O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1ccc(Cl)cc1)C[C@H]2c1cccnc1 ZINC000306130527 568766201 /nfs/dbraw/zinc/76/62/01/568766201.db2.gz JIXJFMVXUNTGMK-AZGAKELHSA-N 0 1 447.966 4.132 40 0 IIABMN COc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5cccnc5OC)C4)nn3c2)c1 ZINC000306143602 568773501 /nfs/dbraw/zinc/77/35/01/568773501.db2.gz YGSVMJBMBSLJNU-FQEVSTJZSA-N 0 1 429.524 4.188 40 0 IIABMN CCc1ccc(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000095863087 568792160 /nfs/dbraw/zinc/79/21/60/568792160.db2.gz ALFVVFKLZQDENL-AREMUKBSSA-N 0 1 430.592 4.396 40 0 IIABMN Cc1ccc(-c2cc(C[C@@]3(C(=O)NCC(C)C)CCCN3Cc3ccncc3)on2)cc1 ZINC000019696505 569229788 /nfs/dbraw/zinc/22/97/88/569229788.db2.gz KPVPCPASNRDWIQ-AREMUKBSSA-N 0 1 432.568 4.395 40 0 IIABMN Cc1cc2nc(CC(=O)N3CC[C@H](c4cc(COc5ccccc5F)n[nH]4)C3)[nH]c2c(C)c1 ZINC000019704624 569233451 /nfs/dbraw/zinc/23/34/51/569233451.db2.gz IHCNPDRVJLCNQK-KRWDZBQOSA-N 0 1 447.514 4.180 40 0 IIABMN COc1ccc(OC)c(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000108923664 569253184 /nfs/dbraw/zinc/25/31/84/569253184.db2.gz DUOXREZLNXQDQF-UHFFFAOYSA-N 0 1 446.912 4.410 40 0 IIABMN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018032536 569284194 /nfs/dbraw/zinc/28/41/94/569284194.db2.gz QCAPIHXQUSPMAK-SGNDLWITSA-N 0 1 444.487 4.063 40 0 IIABMN COc1cccc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)c1 ZINC000019687683 569326355 /nfs/dbraw/zinc/32/63/55/569326355.db2.gz FLZVXWWNSUIFGY-HSZRJFAPSA-N 0 1 445.567 4.044 40 0 IIABMN Cc1cc(=O)[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(Br)cc3)cc12 ZINC000217435509 569445928 /nfs/dbraw/zinc/44/59/28/569445928.db2.gz PHNQYRZVYBXWTN-UHFFFAOYSA-N 0 1 427.707 4.053 40 0 IIABMN CCOC(=O)COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1 ZINC000408587328 555937560 /nfs/dbraw/zinc/93/75/60/555937560.db2.gz BLTLZQPPASVMGK-UHFFFAOYSA-N 0 1 427.478 4.222 40 0 IIABMN O=C([O-])CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000408607321 555967810 /nfs/dbraw/zinc/96/78/10/555967810.db2.gz KXHYTTYJCFYPRA-KIZRYQFWSA-N 0 1 428.548 4.092 40 0 IIABMN O=C(c1ccn[nH]1)N1CCC[C@@H](c2cc3nc(-c4cccs4)cc(C(F)(F)F)n3n2)C1 ZINC000012088412 556401257 /nfs/dbraw/zinc/40/12/57/556401257.db2.gz YLRQRXZSLDMQMZ-GFCCVEGCSA-N 0 1 446.458 4.220 40 0 IIABMN COc1ccc(CCCNC(=O)C2CCN(Cc3ccc(Cl)cc3)CC2)cc1OC ZINC000044851750 556670772 /nfs/dbraw/zinc/67/07/72/556670772.db2.gz TWQFEFXSKDDHGA-UHFFFAOYSA-N 0 1 430.976 4.318 40 0 IIABMN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000044884258 556675048 /nfs/dbraw/zinc/67/50/48/556675048.db2.gz FOUSUVLYONHNBJ-QGZVFWFLSA-N 0 1 447.516 4.442 40 0 IIABMN CC(=O)NC1(c2ccccc2F)CCN(Cc2ccccc2OCc2ccccn2)CC1 ZINC000019021153 556693647 /nfs/dbraw/zinc/69/36/47/556693647.db2.gz KVGZCZROBDPGDN-UHFFFAOYSA-N 0 1 433.527 4.427 40 0 IIABMN COc1ccc(C)cc1CN1CCC([C@@H](NC(=O)c2ccccn2)c2nccs2)CC1 ZINC000019133336 556705102 /nfs/dbraw/zinc/70/51/02/556705102.db2.gz XHDXTXPLVQBOOM-JOCHJYFZSA-N 0 1 436.581 4.238 40 0 IIABMN Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)cc1 ZINC000019209755 556708875 /nfs/dbraw/zinc/70/88/75/556708875.db2.gz YFYVYJYFHUIIRS-XMMPIXPASA-N 0 1 448.611 4.065 40 0 IIABMN Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)cc1 ZINC000019209755 556708876 /nfs/dbraw/zinc/70/88/76/556708876.db2.gz YFYVYJYFHUIIRS-XMMPIXPASA-N 0 1 448.611 4.065 40 0 IIABMN O=C(C=Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019368493 556746662 /nfs/dbraw/zinc/74/66/62/556746662.db2.gz LGXBWKCUEZNPJY-YAOQVBECSA-N 0 1 432.568 4.250 40 0 IIABMN CC(C)c1cc(C(=O)N2CCC[C@@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)n[nH]1 ZINC000019451783 556762637 /nfs/dbraw/zinc/76/26/37/556762637.db2.gz PIRBUVYSKGEOAK-DEOSSOPVSA-N 0 1 436.581 4.212 40 0 IIABMN CCc1c(C)noc1-c1snnc1C1CCN(Cc2ccc(COC(C)=O)o2)CC1 ZINC000019521799 556778573 /nfs/dbraw/zinc/77/85/73/556778573.db2.gz WHNGWGLPYRYYAW-UHFFFAOYSA-N 0 1 430.530 4.100 40 0 IIABMN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000019521976 556778770 /nfs/dbraw/zinc/77/87/70/556778770.db2.gz OOMBLTZBNWIRCA-LBPRGKRZSA-N 0 1 433.434 4.424 40 0 IIABMN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)c2cccc(OC)c2)CC1)c1ccccc1 ZINC000019526679 556785109 /nfs/dbraw/zinc/78/51/09/556785109.db2.gz SNUQFVDYBJYRKS-UHFFFAOYSA-N 0 1 432.524 4.105 40 0 IIABMN Cc1scc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)c1C ZINC000019561937 556803249 /nfs/dbraw/zinc/80/32/49/556803249.db2.gz GVSJVDIOFASNTP-UHFFFAOYSA-N 0 1 426.561 4.299 40 0 IIABMN COc1cccc(CN2CCC(c3cc(C(=O)NCc4cccs4)on3)CC2)c1OC ZINC000019567673 556807869 /nfs/dbraw/zinc/80/78/69/556807869.db2.gz FVENBEYOYWRODG-UHFFFAOYSA-N 0 1 441.553 4.063 40 0 IIABMN COc1cccc(OC)c1CN1CCC(c2cc(N(C)C)nc(-c3ccncc3)n2)CC1 ZINC000019584608 556822202 /nfs/dbraw/zinc/82/22/02/556822202.db2.gz BOULYTDUPBPGGT-UHFFFAOYSA-N 0 1 433.556 4.001 40 0 IIABMN Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CCN(Cc5ccccn5)CC4)nc32)cc1 ZINC000019703741 556862139 /nfs/dbraw/zinc/86/21/39/556862139.db2.gz QBAHWSPWNOSAQE-UHFFFAOYSA-N 0 1 441.579 4.347 40 0 IIABMN O=C(Cc1ccccn1)N1CCC[C@@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019742754 556886810 /nfs/dbraw/zinc/88/68/10/556886810.db2.gz LNANERCMVPBEGO-GOSISDBHSA-N 0 1 444.514 4.053 40 0 IIABMN O=C(COc1ccccc1)N1CCC(c2ccc3c(n[nH]c3NCc3ccccc3)n2)CC1 ZINC000019744914 556891427 /nfs/dbraw/zinc/89/14/27/556891427.db2.gz NRIJEJSZHSPLRB-UHFFFAOYSA-N 0 1 441.535 4.355 40 0 IIABMN Cc1cc2nc(C3CCN(C(=O)c4nc5ccc(F)cc5[nH]4)CC3)cc(C(F)(F)F)n2n1 ZINC000072340858 556912780 /nfs/dbraw/zinc/91/27/80/556912780.db2.gz NSUCLNDFQFEVKU-UHFFFAOYSA-N 0 1 446.408 4.092 40 0 IIABMN COc1ccc(CC(=O)N2CC[C@@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cc1 ZINC000072371362 556938323 /nfs/dbraw/zinc/93/83/23/556938323.db2.gz XGXRTGSQEYHEHU-GOSISDBHSA-N 0 1 439.943 4.252 40 0 IIABMN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)COc4ccccc4)C3)c2)n1 ZINC000072374879 556949453 /nfs/dbraw/zinc/94/94/53/556949453.db2.gz MTDBTLFZQAUWRT-HXUWFJFHSA-N 0 1 431.540 4.325 40 0 IIABMN O=C(c1ccncc1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072380160 556957831 /nfs/dbraw/zinc/95/78/31/556957831.db2.gz PALMPAUXHDVHKU-MRXNPFEDSA-N 0 1 430.430 4.075 40 0 IIABMN Cc1ccc2[nH]c([C@@H]3CCCN(C(=O)[C@H](C)CN4CCOCC4)C3)c(-c3ccncc3)c2c1 ZINC000072396800 556969745 /nfs/dbraw/zinc/96/97/45/556969745.db2.gz QFFSHVZPXSHDER-IFMALSPDSA-N 0 1 446.595 4.213 40 0 IIABMN COc1ccc(CN2CCC[C@@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(F)c1 ZINC000072398673 556970775 /nfs/dbraw/zinc/97/07/75/556970775.db2.gz CAXKFEMWOMWQSU-DVECYGJZSA-N 0 1 434.515 4.008 40 0 IIABMN O=C(COc1cccc2ccccc21)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020043338 556972396 /nfs/dbraw/zinc/97/23/96/556972396.db2.gz YYQZUEJEEUEQPK-UHFFFAOYSA-N 0 1 433.489 4.053 40 0 IIABMN Cc1nc2cc([C@@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)nn2c(C)c1CCC(=O)NCC(F)F ZINC000257310166 557003659 /nfs/dbraw/zinc/00/36/59/557003659.db2.gz UDYHQPIBEFZRHE-NQIIRXRSSA-N 0 1 445.558 4.153 40 0 IIABMN Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)c1 ZINC000409409904 557103023 /nfs/dbraw/zinc/10/30/23/557103023.db2.gz JWUHIWMSCLCHEI-UHFFFAOYSA-N 0 1 429.929 4.083 40 0 IIABMN CN(Cc1nc(-c2ccccc2Cl)no1)C(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000219424901 557244645 /nfs/dbraw/zinc/24/46/45/557244645.db2.gz NCRAAAOKMGEAAL-UHFFFAOYSA-N 0 1 442.922 4.400 40 0 IIABMN Cc1ccc(C[N@@H+]2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C(C)C)CC4)cc1 ZINC000100243187 557255314 /nfs/dbraw/zinc/25/53/14/557255314.db2.gz OAZLFNZKLNTPCZ-QHCPKHFHSA-N 0 1 447.583 4.011 40 0 IIABMN Cc1cccc(C[N@@H+]2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C(C)C)CC4)c1 ZINC000100243192 557255342 /nfs/dbraw/zinc/25/53/42/557255342.db2.gz HGBCZOOFJQCFJY-HSZRJFAPSA-N 0 1 447.583 4.011 40 0 IIABMN COc1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000102861329 557458310 /nfs/dbraw/zinc/45/83/10/557458310.db2.gz IUBITZYLXRRGMJ-BHIFYINESA-N 0 1 434.879 4.400 40 0 IIABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cc(Cl)ccc3Cl)s2)c1 ZINC000223558740 557485938 /nfs/dbraw/zinc/48/59/38/557485938.db2.gz QSNIAUSKWCHLFH-UHFFFAOYSA-N 0 1 443.337 4.206 40 0 IIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3)cc2)c(OC)c1 ZINC000224524135 557616441 /nfs/dbraw/zinc/61/64/41/557616441.db2.gz KAJHPSQTOPUEAT-UHFFFAOYSA-N 0 1 426.494 4.065 40 0 IIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)c(OC)c1 ZINC000224530078 557617096 /nfs/dbraw/zinc/61/70/96/557617096.db2.gz FFNUTEAVZATGNL-UHFFFAOYSA-N 0 1 427.482 4.149 40 0 IIABMN C[C@H]1C[C@H](OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC(C)(C)C1 ZINC000034171015 557810983 /nfs/dbraw/zinc/81/09/83/557810983.db2.gz JPXOJNVGGPAPIF-WMQCIHAUSA-N 0 1 428.539 4.420 40 0 IIABMN O=C(NC1CCCCC1)N1Cc2[nH]cnc2C[C@H]1c1nc(-c2ccc(F)c(Cl)c2)no1 ZINC000015707307 560096765 /nfs/dbraw/zinc/09/67/65/560096765.db2.gz STCZGTJDNYXCIH-SFHVURJKSA-N 0 1 444.898 4.394 40 0 biogenic,in-vitro IIABMN COCCOc1cc(CN2CCC[C@@](O)(COc3cc(C)ccc3Cl)C2)ccc1OC ZINC000585271191 568617808 /nfs/dbraw/zinc/61/78/08/568617808.db2.gz TWVNXUOQWDABFF-DEOSSOPVSA-N 0 1 449.975 4.088 40 0 IIABMN Cc1n[nH]cc1CN1CCC(COc2ccccc2)(CC(=O)N(C)Cc2ccccc2)CC1 ZINC000257251098 568689099 /nfs/dbraw/zinc/68/90/99/568689099.db2.gz JPJCPVOMQXVRBI-UHFFFAOYSA-N 0 1 446.595 4.428 40 0 IIABMN Cc1ccc2n[nH]c(C(=O)N3CCO[C@H](c4cc(Cc5ccccc5)cc(C)n4)C3)c2c1 ZINC000257252538 568689680 /nfs/dbraw/zinc/68/96/80/568689680.db2.gz JVDIRXVEVDLNCQ-DEOSSOPVSA-N 0 1 426.520 4.379 40 0 IIABMN CCn1ncc(CN2CCO[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)c1C ZINC000257272173 568698396 /nfs/dbraw/zinc/69/83/96/568698396.db2.gz NBHSPVGLJZSKIR-RUZDIDTESA-N 0 1 437.588 4.253 40 0 IIABMN COc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5cccnc5)C4)nn3c2)c1OC ZINC000306133047 568767580 /nfs/dbraw/zinc/76/75/80/568767580.db2.gz MACMWYSPAJSYLV-HXUWFJFHSA-N 0 1 429.524 4.188 40 0 IIABMN COc1ccccc1-c1ccc2c([C@@H]3CN(Cc4ccc(C)s4)CCN3C)nnn2c1 ZINC000306133997 568768170 /nfs/dbraw/zinc/76/81/70/568768170.db2.gz NBIZKLZRWYQCCY-QFIPXVFZSA-N 0 1 433.581 4.264 40 0 IIABMN COc1ccccc1N1C(=O)/C(=C/c2cc(C)n(-c3ccc(F)cc3)c2C)C(=O)NC1=S ZINC000002369643 568859441 /nfs/dbraw/zinc/85/94/41/568859441.db2.gz LOELGLJZRCNJAV-CPNJWEJPSA-N 0 1 449.507 4.073 40 0 IIABMN Cc1ccc2n[nH]c(C(=O)N3CCO[C@H](c4nccnc4-c4cccc(Cl)c4)C3)c2c1 ZINC000019693321 569228717 /nfs/dbraw/zinc/22/87/17/569228717.db2.gz SGRRIUDBEHJGMY-IBGZPJMESA-N 0 1 433.899 4.195 40 0 IIABMN Cc1nc2sccn2c1CN1CC[C@H]2[C@H]1CCCCC(=O)N2Cc1ccccc1F ZINC000019713867 569235726 /nfs/dbraw/zinc/23/57/26/569235726.db2.gz WPRMEGGLGLBWDL-UXHICEINSA-N 0 1 426.561 4.389 40 0 IIABMN Cc1nc([C@H]2CCCN(Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765502 569238836 /nfs/dbraw/zinc/23/88/36/569238836.db2.gz DJQDICGVYSVKNG-FQEVSTJZSA-N 0 1 436.506 4.373 40 0 IIABMN CSc1ccc(S(=O)(=O)Nc2ccccc2C(F)(F)F)cc1C(=O)N1CCCC1 ZINC000026114780 569242304 /nfs/dbraw/zinc/24/23/04/569242304.db2.gz KPFNRSLQTNNYQN-UHFFFAOYSA-N 0 1 444.500 4.464 40 0 IIABMN Cc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)c(C)c1 ZINC000105942403 569250341 /nfs/dbraw/zinc/25/03/41/569250341.db2.gz HHNOMMYQIMJIIY-UHFFFAOYSA-N 0 1 433.331 4.287 40 0 IIABMN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1 ZINC000329061277 569583362 /nfs/dbraw/zinc/58/33/62/569583362.db2.gz WQBUBYDUTTXIGU-KRWDZBQOSA-N 0 1 434.327 4.723 40 0 IIABMN COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(C3CCCC3)nn2C)cc1 ZINC000008635912 291383660 /nfs/dbraw/zinc/38/36/60/291383660.db2.gz IQNXPXKOLWRBLF-DWLFOUALSA-N 0 1 437.588 4.086 40 0 biogenic,in-vitro IIABMN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@@H](C)Sc1nc(-c2ccccc2O)n[nH]1 ZINC000012482876 521392074 /nfs/dbraw/zinc/39/20/74/521392074.db2.gz UHEQBHBBLCFJMY-GFCCVEGCSA-N 0 1 446.554 4.152 40 0 IIABMN COc1cc(CN2CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]32)ccc1O ZINC000012188334 522378489 /nfs/dbraw/zinc/37/84/89/522378489.db2.gz SLYAVVIIMDZOLZ-MJGOQNOKSA-N 0 1 434.458 4.156 40 0 IIABMN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020494724 523038648 /nfs/dbraw/zinc/03/86/48/523038648.db2.gz KJGZGFOKBFQJSZ-HXUWFJFHSA-N 0 1 439.537 4.295 40 0 IIABMN CCOc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000408554096 555891639 /nfs/dbraw/zinc/89/16/39/555891639.db2.gz BOMWKOXXACDMRO-UHFFFAOYSA-N 0 1 437.686 4.144 40 0 IIABMN CCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1ccccc1F ZINC000408557761 555895969 /nfs/dbraw/zinc/89/59/69/555895969.db2.gz HRTSEMGUMQHXKE-UHFFFAOYSA-N 0 1 444.484 4.286 40 0 IIABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2F)c1 ZINC000408558608 555897766 /nfs/dbraw/zinc/89/77/66/555897766.db2.gz SDVAHBZEZQXSTJ-UHFFFAOYSA-N 0 1 444.484 4.286 40 0 IIABMN CCOC(=O)Nc1cc(S(=O)(=O)Nc2ccccc2C(F)(F)F)ccc1OCC ZINC000408588775 555941145 /nfs/dbraw/zinc/94/11/45/555941145.db2.gz YOVLENVJFFMNHA-UHFFFAOYSA-N 0 1 432.420 4.473 40 0 IIABMN CCOc1ccccc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408604674 555975007 /nfs/dbraw/zinc/97/50/07/555975007.db2.gz FHMMSOLTIDVXQT-QGZVFWFLSA-N 0 1 446.569 4.102 40 0 IIABMN O=C(Nc1ccccc1C(=O)N1CCCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000039742113 556438123 /nfs/dbraw/zinc/43/81/23/556438123.db2.gz ZTBNSRFPZAZNCN-UHFFFAOYSA-N 0 1 425.960 4.427 40 0 IIABMN COC(=O)c1c(NC(=O)[C@H]2CCCN(Cc3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000038857940 556626112 /nfs/dbraw/zinc/62/61/12/556626112.db2.gz KQWBYMKYOSBUQZ-INIZCTEOSA-N 0 1 430.545 4.403 40 0 IIABMN CC[C@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000044838917 556668190 /nfs/dbraw/zinc/66/81/90/556668190.db2.gz IFICSDUAWRDHCV-NRFANRHFSA-N 0 1 439.537 4.295 40 0 IIABMN COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000044901704 556678213 /nfs/dbraw/zinc/67/82/13/556678213.db2.gz DCFCXIPBWLRUAT-UHFFFAOYSA-N 0 1 433.489 4.297 40 0 IIABMN O=C(CCC1CCCC1)N1CC[C@@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019014905 556692130 /nfs/dbraw/zinc/69/21/30/556692130.db2.gz TWKJESVXRJCPLH-LJQANCHMSA-N 0 1 426.605 4.159 40 0 IIABMN COc1cccc(OC)c1CN1CCC[C@@H]([C@@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000019081817 556696393 /nfs/dbraw/zinc/69/63/93/556696393.db2.gz VJDMTAOEFWWAEZ-WZONZLPQSA-N 0 1 425.573 4.214 40 0 IIABMN COc1ccc(CN2[C@@H]3CC[C@H]2Cc2c3cnc3cc(C(C)(C)C)nn32)cc1CN(C)C ZINC000019084277 556698530 /nfs/dbraw/zinc/69/85/30/556698530.db2.gz CCRRAMXRVQQWFX-PZJWPPBQSA-N 0 1 433.600 4.359 40 0 IIABMN CCOc1ccccc1C(=O)N1CCC(c2[nH]ncc2C(=O)N(CC)c2ccccc2)CC1 ZINC000019526681 556785162 /nfs/dbraw/zinc/78/51/62/556785162.db2.gz HFLAUAKSJVLKIO-UHFFFAOYSA-N 0 1 446.551 4.495 40 0 IIABMN CCOc1cc2c(cc1CN1CCC(NC(C)=O)(c3ccccc3F)CC1)O[C@@H](C)C2 ZINC000019532443 556792810 /nfs/dbraw/zinc/79/28/10/556792810.db2.gz YOUADCMVVOWTRS-KRWDZBQOSA-N 0 1 426.532 4.175 40 0 IIABMN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)C[C@@H]2O ZINC000019563005 556804045 /nfs/dbraw/zinc/80/40/45/556804045.db2.gz HDDASCPPCRHHDJ-VQTJNVASSA-N 0 1 438.351 4.386 40 0 IIABMN COc1ccc2c(c1)OC1(CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)C[C@H]2O ZINC000019563008 556804056 /nfs/dbraw/zinc/80/40/56/556804056.db2.gz HDDASCPPCRHHDJ-WOJBJXKFSA-N 0 1 438.351 4.386 40 0 IIABMN COc1ccccc1CNC(=O)c1cc(C2CCN(Cc3ccccc3OC)CC2)no1 ZINC000019570831 556811113 /nfs/dbraw/zinc/81/11/13/556811113.db2.gz GFZBZBBIKZWOTA-UHFFFAOYSA-N 0 1 435.524 4.001 40 0 IIABMN O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)N1CCCc2ccccc21 ZINC000004489322 556822087 /nfs/dbraw/zinc/82/20/87/556822087.db2.gz SGSCYMSKTAHOQN-UHFFFAOYSA-N 0 1 443.473 4.066 40 0 IIABMN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@@H]2CCCN2Cc2ccccc2Cl)n1 ZINC000019690447 556846382 /nfs/dbraw/zinc/84/63/82/556846382.db2.gz XWTQNDQEODHYAF-NRFANRHFSA-N 0 1 435.959 4.299 40 0 IIABMN COCCc1ncc(CN2CCC(c3cc(Cc4ccc(F)cc4)cc(C)n3)CC2)cn1 ZINC000019691738 556847452 /nfs/dbraw/zinc/84/74/52/556847452.db2.gz ZCKOWVMIQGIRLU-UHFFFAOYSA-N 0 1 434.559 4.478 40 0 IIABMN COc1ccc(CCC(=O)N2CCCC[C@@H]2c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)cc1 ZINC000019695535 556852171 /nfs/dbraw/zinc/85/21/71/556852171.db2.gz SCUSWTVGKFZDQZ-QGZVFWFLSA-N 0 1 447.461 4.254 40 0 IIABMN Cc1cc(C)cc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@@H]4CCCCN4)n3)CCCC2)c1 ZINC000019709865 556871403 /nfs/dbraw/zinc/87/14/03/556871403.db2.gz KYZMXYVCJCUILF-QHCPKHFHSA-N 0 1 449.643 4.444 40 0 IIABMN O=C(Cc1ccccn1)N1CCC(c2ccc3c(n[nH]c3NCc3ccccc3F)n2)CC1 ZINC000019745143 556891980 /nfs/dbraw/zinc/89/19/80/556891980.db2.gz IPZZDVBMSQYNQS-UHFFFAOYSA-N 0 1 444.514 4.053 40 0 IIABMN COc1cccc(OC)c1CN1CCC[C@H]([C@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000072341426 556913617 /nfs/dbraw/zinc/91/36/17/556913617.db2.gz JWXNIWDAPSUJCI-AVRDEDQJSA-N 0 1 443.613 4.420 40 0 IIABMN CCc1ncc(CN2CCC[C@@H](c3nc(N)ncc3-c3ccc(C(F)(F)F)cc3)C2)cn1 ZINC000072346225 556917743 /nfs/dbraw/zinc/91/77/43/556917743.db2.gz WVYCPXFQOBEZIU-QGZVFWFLSA-N 0 1 442.489 4.477 40 0 IIABMN COc1cc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cc(OC)c1 ZINC000072352783 556925047 /nfs/dbraw/zinc/92/50/47/556925047.db2.gz ZVBYNJPTZRAAMM-GOSISDBHSA-N 0 1 427.545 4.134 40 0 IIABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H](c4cc(-c5ccc(N)nc5)cc(C)n4)C3)c2c1 ZINC000072353791 556928302 /nfs/dbraw/zinc/92/83/02/556928302.db2.gz IDYKAXPELXIXHI-GOSISDBHSA-N 0 1 426.524 4.239 40 0 IIABMN O=C(COc1ccccc1)N1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000072371273 556937785 /nfs/dbraw/zinc/93/77/85/556937785.db2.gz LCVSNKNYSQRSMK-KRWDZBQOSA-N 0 1 425.916 4.080 40 0 IIABMN Cc1cc(Nc2nc(C)cc(C)n2)cc([C@H]2CCCN(C(=O)COc3ccccc3F)C2)n1 ZINC000072374962 556949712 /nfs/dbraw/zinc/94/97/12/556949712.db2.gz SLDKALQISVUBIA-IBGZPJMESA-N 0 1 449.530 4.465 40 0 IIABMN COc1cccc(OC)c1CN1CCC[C@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398577 556969990 /nfs/dbraw/zinc/96/99/90/556969990.db2.gz VJDMTAOEFWWAEZ-MBSDFSHPSA-N 0 1 425.573 4.214 40 0 IIABMN 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O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCC[N@@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019014770 556692306 /nfs/dbraw/zinc/69/23/06/556692306.db2.gz JAKTXKCZJLHPGB-QFIPXVFZSA-N 0 1 426.605 4.095 40 0 IIABMN O=C(CC1CCCCC1)N1CCc2nc([C@@H]3CCC[N@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019014770 556692309 /nfs/dbraw/zinc/69/23/09/556692309.db2.gz JAKTXKCZJLHPGB-QFIPXVFZSA-N 0 1 426.605 4.095 40 0 IIABMN COc1ccc(CN2CCC([C@@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1OC ZINC000019082028 556696990 /nfs/dbraw/zinc/69/69/90/556696990.db2.gz IMRZGYQQARKMGH-HSZRJFAPSA-N 0 1 425.573 4.214 40 0 IIABMN O=C(CCc1ccccc1)N1CCO[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257209440 556702312 /nfs/dbraw/zinc/70/23/12/556702312.db2.gz BQJHJMUEAAGRAJ-QHCPKHFHSA-N 0 1 439.943 4.217 40 0 IIABMN CC(C)c1cc(C(=O)N2CCC[C@](Cc3ccccc3-c3cccs3)(C(N)=O)C2)n[nH]1 ZINC000019451785 556762659 /nfs/dbraw/zinc/76/26/59/556762659.db2.gz PIRBUVYSKGEOAK-XMMPIXPASA-N 0 1 436.581 4.212 40 0 IIABMN CCC(CC)C(=O)N1CCC(c2cc3nc4c(c(=O)n3[n-]2)C[N@@H+](C(CC)CC)CC4)CC1 ZINC000019500117 556772002 /nfs/dbraw/zinc/77/20/02/556772002.db2.gz GTIKMQZCYZEOAJ-UHFFFAOYSA-N 0 1 441.620 4.124 40 0 IIABMN CCCN1CCN(Cc2cccc(C)n2)C[C@H](Cc2ccc(-c3cccnc3)cc2)C1=O ZINC000019502833 556773932 /nfs/dbraw/zinc/77/39/32/556773932.db2.gz XNHNQQNKVIPPOO-VWLOTQADSA-N 0 1 428.580 4.365 40 0 IIABMN CCc1cc(C(F)(F)F)c2c(n1)onc2C1CCN(C(=O)c2cc(C3CC3)[nH]n2)CC1 ZINC000019522071 556779174 /nfs/dbraw/zinc/77/91/74/556779174.db2.gz NXFWVCWOWQEMKJ-UHFFFAOYSA-N 0 1 433.434 4.424 40 0 IIABMN CCOc1cc2c(cc1CN1CCC(NC(C)=O)(c3ccc(F)cc3)CC1)O[C@H](C)C2 ZINC000019532435 556792822 /nfs/dbraw/zinc/79/28/22/556792822.db2.gz GXLCHBRCLIPEER-QGZVFWFLSA-N 0 1 426.532 4.175 40 0 IIABMN CCOc1cc2c(cc1CN1CCC(NC(C)=O)(c3ccccc3F)CC1)O[C@H](C)C2 ZINC000019532441 556792826 /nfs/dbraw/zinc/79/28/26/556792826.db2.gz YOUADCMVVOWTRS-QGZVFWFLSA-N 0 1 426.532 4.175 40 0 IIABMN CN(C(=O)c1cn[nH]c1C1CCN(C(=O)CCc2ccccc2F)CC1)C1CCCCC1 ZINC000019585842 556822838 /nfs/dbraw/zinc/82/28/38/556822838.db2.gz ZWNHGMBRUSYZLF-UHFFFAOYSA-N 0 1 440.563 4.292 40 0 IIABMN Cn1cnc2cc(C(=O)N3CC[C@H](c4cc(CCOc5cccc(Cl)c5)[nH]n4)C3)ccc21 ZINC000072371779 556940737 /nfs/dbraw/zinc/94/07/37/556940737.db2.gz NKZMQPGBLCYWNP-KRWDZBQOSA-N 0 1 449.942 4.201 40 0 IIABMN COc1ccc(NC(=O)CN2CCC[C@@H]2c2cc(Nc3nc(C)cc(C)n3)cc(C)n2)cc1 ZINC000072372483 556942934 /nfs/dbraw/zinc/94/29/34/556942934.db2.gz VEZKJZZQZHHKRK-HSZRJFAPSA-N 0 1 446.555 4.325 40 0 IIABMN CCOc1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000019927880 556945743 /nfs/dbraw/zinc/94/57/43/556945743.db2.gz ANMFSFYWPXUGQG-UHFFFAOYSA-N 0 1 433.331 4.364 40 0 IIABMN COc1cc(OC)cc(-c2n[nH]c(SCc3nnc(-c4ccccc4Cl)o3)n2)c1 ZINC000019928997 556946917 /nfs/dbraw/zinc/94/69/17/556946917.db2.gz MTKVAAQQQCEHPR-UHFFFAOYSA-N 0 1 429.889 4.485 40 0 IIABMN CCOc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000019933213 556949576 /nfs/dbraw/zinc/94/95/76/556949576.db2.gz VCDPVRXODAKCEJ-UHFFFAOYSA-N 0 1 444.940 4.470 40 0 IIABMN COc1cc2c(cc1CN1CCC(c3cccc(Nc4cc(C)on4)n3)CC1)OCCO2 ZINC000072376184 556954551 /nfs/dbraw/zinc/95/45/51/556954551.db2.gz BVFCFOLZVYUKOQ-UHFFFAOYSA-N 0 1 436.512 4.281 40 0 IIABMN CC(C)N1Cc2c(-c3ccccc3)ncn2[C@@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000585106539 557040232 /nfs/dbraw/zinc/04/02/32/557040232.db2.gz AGHZUOMYHJNPPY-HHHXNRCGSA-N 0 1 428.580 4.335 40 0 IIABMN O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12)c1cccs1 ZINC000585110047 557042450 /nfs/dbraw/zinc/04/24/50/557042450.db2.gz ATQIMSHMHQZXCZ-SFTDATJTSA-N 0 1 431.561 4.172 40 0 IIABMN COc1cc(-c2nc3ccccc3c(=O)[nH]2)c(Br)c(Br)c1O ZINC000409271274 557042819 /nfs/dbraw/zinc/04/28/19/557042819.db2.gz UANVJWZBPIDOQH-UHFFFAOYSA-N 0 1 426.064 4.242 40 0 IIABMN Cc1ccccc1NS(=O)(=O)c1cc(C(=O)NCCc2ccccc2)ccc1Cl ZINC000409384048 557091864 /nfs/dbraw/zinc/09/18/64/557091864.db2.gz XWLDZFFSRMQVIK-UHFFFAOYSA-N 0 1 428.941 4.422 40 0 IIABMN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)Cc2cccc(F)c2)CC1)c1ccccc1 ZINC000585166779 557129782 /nfs/dbraw/zinc/12/97/82/557129782.db2.gz XNODGACUBBNCJP-UHFFFAOYSA-N 0 1 434.515 4.164 40 0 IIABMN COC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3Cl)n[nH]2)cc1 ZINC000216050550 557138990 /nfs/dbraw/zinc/13/89/90/557138990.db2.gz WXVFONJTPKPLML-UHFFFAOYSA-N 0 1 437.308 4.296 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2F)c(F)c1 ZINC000008810705 557173200 /nfs/dbraw/zinc/17/32/00/557173200.db2.gz GSPLETTZPSIJIT-UHFFFAOYSA-N 0 1 432.448 4.335 40 0 IIABMN COC(=O)c1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)c1 ZINC000010112225 557204867 /nfs/dbraw/zinc/20/48/67/557204867.db2.gz MIAIUFCKBYPAIS-UHFFFAOYSA-N 0 1 444.896 4.180 40 0 IIABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 ZINC000136133699 557459516 /nfs/dbraw/zinc/45/95/16/557459516.db2.gz DDTYIZYWMBBEOU-KMDXXIMOSA-N 0 1 428.488 4.363 40 0 IIABMN Cn1c2cc(Cl)c(S(=O)(=O)Nc3ccc(Oc4ccccc4)cc3)cc2oc1=O ZINC000223346020 557460881 /nfs/dbraw/zinc/46/08/81/557460881.db2.gz PHCQFLAQTFPFTB-UHFFFAOYSA-N 0 1 430.869 4.378 40 0 IIABMN CCn1c(=O)oc2cc(S(=O)(=O)Nc3ccc(Cl)cc3C(F)(F)F)c(C)cc21 ZINC000223358380 557462029 /nfs/dbraw/zinc/46/20/29/557462029.db2.gz QTCKOUPIVZEDFL-UHFFFAOYSA-N 0 1 434.823 4.396 40 0 IIABMN COc1ccc(Cl)cc1NS(=O)(=O)c1ccc(SC)c(NC(=O)C(C)C)c1 ZINC000224036675 557549358 /nfs/dbraw/zinc/54/93/58/557549358.db2.gz RVVDNSLXWUTRCH-UHFFFAOYSA-N 0 1 428.963 4.466 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)COc2cccc(C)c2)cc1 ZINC000224568988 557625093 /nfs/dbraw/zinc/62/50/93/557625093.db2.gz LFRYQJRYFZNKGM-UHFFFAOYSA-N 0 1 440.521 4.130 40 0 IIABMN CC(=O)c1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675820 560094801 /nfs/dbraw/zinc/09/48/01/560094801.db2.gz BVQKLWZAXOPGLM-NRFANRHFSA-N 0 1 442.479 4.302 40 0 biogenic,in-vitro IIABMN Cc1cc(C)cc(C2(C(=O)N3CC[C@H](c4[nH]ncc4-c4ccnc(N)c4)C3)CCCC2)c1 ZINC000257200046 568665075 /nfs/dbraw/zinc/66/50/75/568665075.db2.gz ABUKNHDYAVVKMQ-FQEVSTJZSA-N 0 1 429.568 4.499 40 0 IIABMN Cc1nc2ccccn2c1CN1CCC[C@@H](c2n[nH]cc2C(=O)N(C)Cc2ccccc2)C1 ZINC000257225680 568677080 /nfs/dbraw/zinc/67/70/80/568677080.db2.gz FHHNYKADWKIOFZ-OAQYLSRUSA-N 0 1 442.567 4.018 40 0 IIABMN Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)c3n[nH]c4c3CCCCC4)C2)n1 ZINC000257241731 568684567 /nfs/dbraw/zinc/68/45/67/568684567.db2.gz HZJSSFYKMUBTOD-MRXNPFEDSA-N 0 1 434.519 4.289 40 0 IIABMN Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(C(=O)CCn3ncc4ccccc43)C2)n1 ZINC000257243612 568685533 /nfs/dbraw/zinc/68/55/33/568685533.db2.gz IHUGXYGGPVSOSE-LJQANCHMSA-N 0 1 444.514 4.424 40 0 IIABMN COc1cc2c(cc1CN1CCC(c3cncc(Nc4ncccc4C)n3)CC1)OCCO2 ZINC000257263134 568694703 /nfs/dbraw/zinc/69/47/03/568694703.db2.gz LOOLDHZOTZHFMP-UHFFFAOYSA-N 0 1 447.539 4.083 40 0 IIABMN Cc1ccc(F)c(S(=O)(=O)N2CC[C@H](c3cc(Nc4nccs4)cc(C)n3)C2)c1 ZINC000257305954 568713817 /nfs/dbraw/zinc/71/38/17/568713817.db2.gz SSFYGRIBAUNZRC-HNNXBMFYSA-N 0 1 432.546 4.216 40 0 IIABMN COc1ccc(OCCc2cc([C@H]3CN(Cc4cn(C)c5ccccc45)CCO3)n[nH]2)cc1 ZINC000257312746 568716875 /nfs/dbraw/zinc/71/68/75/568716875.db2.gz UPJFJMOTUFWCBR-AREMUKBSSA-N 0 1 446.551 4.105 40 0 IIABMN CC(C)(C)c1n[nH]cc1CN1CCO[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1 ZINC000257336330 568727050 /nfs/dbraw/zinc/72/70/50/568727050.db2.gz YNYYMJRGPDGLAD-OAQYLSRUSA-N 0 1 443.979 4.279 40 0 IIABMN Cc1nc2ccccn2c1CC(=O)N1CCC[C@H](c2cc(Nc3nccs3)cc(C)n2)C1 ZINC000257338158 568727841 /nfs/dbraw/zinc/72/78/41/568727841.db2.gz YWENRNCCOKJGFL-SFHVURJKSA-N 0 1 446.580 4.495 40 0 IIABMN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2C)cc1 ZINC000010111240 569221186 /nfs/dbraw/zinc/22/11/86/569221186.db2.gz CFFZOXHAXUZHOJ-UHFFFAOYSA-N 0 1 443.613 4.100 40 0 IIABMN O=C(c1nc2ccc(F)cc2[nH]1)N1CC[C@H](c2cc(COc3ccccc3Cl)n[nH]2)C1 ZINC000019704630 569233497 /nfs/dbraw/zinc/23/34/97/569233497.db2.gz LSBOTHGURCHWPA-ZDUSSCGKSA-N 0 1 439.878 4.287 40 0 IIABMN Cc1nc(C)c(C(=O)N2CC[C@@H](c3ccc4c(n[nH]c4NCCc4ccccc4)n3)C2)s1 ZINC000019704986 569233743 /nfs/dbraw/zinc/23/37/43/569233743.db2.gz XIXUIBIGOPTNCK-GOSISDBHSA-N 0 1 446.580 4.316 40 0 IIABMN Cc1nc(C2CCN(Cc3ccccc3F)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766578 569239426 /nfs/dbraw/zinc/23/94/26/569239426.db2.gz OAFZUXDOZGWFJM-UHFFFAOYSA-N 0 1 436.506 4.373 40 0 IIABMN COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1OCc1ccccc1 ZINC000033614623 569244993 /nfs/dbraw/zinc/24/49/93/569244993.db2.gz QTIDZBRLJBQERZ-XDHOZWIPSA-N 0 1 432.432 4.370 40 0 IIABMN CCOc1cccc(N2C(=O)C(=Cc3cc(OC)c(OC)cc3C)C(=O)NC2=S)c1 ZINC000033719261 569246062 /nfs/dbraw/zinc/24/60/62/569246062.db2.gz AVDXXCGSZBWXGO-LICLKQGHSA-N 0 1 426.494 4.083 40 0 IIABMN Cc1ccc(Nc2nccc(C3CCC(CNC(=O)[C@H](N)c4ccccc4)CC3)n2)nc1 ZINC000072380022 569250131 /nfs/dbraw/zinc/25/01/31/569250131.db2.gz AWZDZUJTWLMNDT-MTNXOHHFSA-N 0 1 430.556 4.014 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2C)cc1 ZINC000012017591 569303598 /nfs/dbraw/zinc/30/35/98/569303598.db2.gz DDTYIZYWMBBEOU-SGNDLWITSA-N 0 1 428.488 4.363 40 0 IIABMN CC(C)[C@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329029640 569583428 /nfs/dbraw/zinc/58/34/28/569583428.db2.gz PZRLJALESDSSQQ-KRWDZBQOSA-N 0 1 434.327 4.723 40 0 IIABMN CCOC(=O)C1=C(C)Nc2sc(C(=O)Nc3cc(C)on3)c(N)c2[C@@H]1c1cccs1 ZINC000012412689 520506259 /nfs/dbraw/zinc/50/62/59/520506259.db2.gz HVCLBBYYWWKYRQ-CQSZACIVSA-N 0 1 444.538 4.335 40 0 IIABMN C[C@H](CN(C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1)c1ccccc1 ZINC000012182795 524291940 /nfs/dbraw/zinc/29/19/40/524291940.db2.gz VJFPZLJEDCFEHX-VOQZNFBZSA-N 0 1 438.572 4.122 40 0 IIABMN O=C(CSc1nc(-c2cc(Br)ccc2O)n[nH]1)Nc1cccc(Cl)c1 ZINC000408541845 555790218 /nfs/dbraw/zinc/79/02/18/555790218.db2.gz FFTGPWOZTFCDFD-UHFFFAOYSA-N 0 1 439.722 4.324 40 0 IIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2Cl)cc1 ZINC000408542868 555790737 /nfs/dbraw/zinc/79/07/37/555790737.db2.gz AYRXFUPLACGLGD-UHFFFAOYSA-N 0 1 444.896 4.430 40 0 IIABMN Cc1ccc(F)cc1NC(=O)CSc1nc(-c2cc(Br)ccc2O)n[nH]1 ZINC000408544965 555793781 /nfs/dbraw/zinc/79/37/81/555793781.db2.gz JZWHNCLEPSYAJS-UHFFFAOYSA-N 0 1 437.294 4.118 40 0 IIABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)c2cccc3c(Cl)cccc23)c1 ZINC000408571719 555915412 /nfs/dbraw/zinc/91/54/12/555915412.db2.gz DGPOISVHHWPGES-UHFFFAOYSA-N 0 1 437.927 4.284 40 0 IIABMN O=C([O-])CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C23CC4CC(CC(C4)C2)C3)CC1 ZINC000408607324 555967827 /nfs/dbraw/zinc/96/78/27/555967827.db2.gz KXHYTTYJCFYPRA-VBSWXYJSSA-N 0 1 428.548 4.092 40 0 IIABMN CCCC1=C(C(=O)OCC)[C@H](c2ccc(OCc3ccccc3)c(OC)c2)NC(=S)N1 ZINC000408602326 555971264 /nfs/dbraw/zinc/97/12/64/555971264.db2.gz BRTSBDIGULETMN-QFIPXVFZSA-N 0 1 440.565 4.410 40 0 IIABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)c1 ZINC000408638240 556015528 /nfs/dbraw/zinc/01/55/28/556015528.db2.gz QDIFBDFPLOKHHI-UHFFFAOYSA-N 0 1 436.324 4.468 40 0 IIABMN Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2C)c1 ZINC000010111239 556325701 /nfs/dbraw/zinc/32/57/01/556325701.db2.gz QQQNKMJYKMOXFJ-UHFFFAOYSA-N 0 1 443.613 4.100 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2cc(C)cc(C)c2)cc1 ZINC000015437345 556527580 /nfs/dbraw/zinc/52/75/80/556527580.db2.gz WUXBNAHOLCYHED-UHFFFAOYSA-N 0 1 440.521 4.130 40 0 IIABMN Cc1cccc(C(=O)NC(=S)Nc2cc(Br)c(O)c(Br)c2)c1 ZINC000032116764 556532728 /nfs/dbraw/zinc/53/27/28/556532728.db2.gz BRWVBMADMUUGOX-UHFFFAOYSA-N 0 1 444.148 4.352 40 0 IIABMN CC1(C)[C@@H]2CC[C@@](C)(C2)[C@@H]1OC[C@H](O)CN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000034171023 556571547 /nfs/dbraw/zinc/57/15/47/556571547.db2.gz CUOSKCZUEOACLV-LPOZWGFCSA-N 0 1 440.550 4.420 40 0 IIABMN O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCC[N@@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019014772 556692003 /nfs/dbraw/zinc/69/20/03/556692003.db2.gz JAKTXKCZJLHPGB-JOCHJYFZSA-N 0 1 426.605 4.095 40 0 IIABMN O=C(CC1CCCCC1)N1CCc2nc([C@H]3CCC[N@H+]3C3CCCCC3)[n-]c(=O)c2C1 ZINC000019014772 556692005 /nfs/dbraw/zinc/69/20/05/556692005.db2.gz JAKTXKCZJLHPGB-JOCHJYFZSA-N 0 1 426.605 4.095 40 0 IIABMN Cc1ccc(OC[C@]2(O)CCCN(CC(=O)NC(C)(C)Cc3ccccc3)CC2)c(C)c1 ZINC000257276955 556714557 /nfs/dbraw/zinc/71/45/57/556714557.db2.gz NVWQRRNMHLLGHE-MHZLTWQESA-N 0 1 438.612 4.037 40 0 IIABMN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCN(CC(=O)N(C(C)C)C(C)C)C3)cc2N1 ZINC000019451381 556762073 /nfs/dbraw/zinc/76/20/73/556762073.db2.gz CFNNHBJNQZTVQJ-ZIFCJYIRSA-N 0 1 443.558 4.261 40 0 IIABMN CCc1onc(C)c1C(=O)NCc1ccc(-c2[nH]ncc2C(=O)N(C)c2ccccc2)cc1 ZINC000019521166 556778074 /nfs/dbraw/zinc/77/80/74/556778074.db2.gz BRCMLXKAAMFBCG-UHFFFAOYSA-N 0 1 443.507 4.142 40 0 IIABMN CCN1CCN(Cc2c[nH]nc2C(C)(C)C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527707 556787059 /nfs/dbraw/zinc/78/70/59/556787059.db2.gz SKVXBTOIDWESGD-QFIPXVFZSA-N 0 1 445.611 4.292 40 0 IIABMN CCNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000019528978 556789981 /nfs/dbraw/zinc/78/99/81/556789981.db2.gz ZGOFZOISDLYKTL-HHHXNRCGSA-N 0 1 444.579 4.411 40 0 IIABMN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000019562186 556803507 /nfs/dbraw/zinc/80/35/07/556803507.db2.gz OEIARFRPPRTDFJ-WOJBJXKFSA-N 0 1 438.351 4.386 40 0 IIABMN CN(C)c1ncc(-c2ccc(C(N)=O)cc2)c([C@H]2CCCN2Cc2ccccc2Cl)n1 ZINC000019690448 556846390 /nfs/dbraw/zinc/84/63/90/556846390.db2.gz XWTQNDQEODHYAF-OAQYLSRUSA-N 0 1 435.959 4.299 40 0 IIABMN COc1ccc(-c2cnc(N(C)C)nc2[C@@H]2CCCCN2C(=O)c2cc(C(C)C)[nH]n2)cc1 ZINC000019694295 556849986 /nfs/dbraw/zinc/84/99/86/556849986.db2.gz BGJBRKBLOISPFL-QFIPXVFZSA-N 0 1 448.571 4.432 40 0 IIABMN CCn1cc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c(C)n1 ZINC000019694343 556850106 /nfs/dbraw/zinc/85/01/06/556850106.db2.gz MPKGZYHROMUCOG-HSZRJFAPSA-N 0 1 434.588 4.470 40 0 IIABMN Cn1c(=O)oc2cc(NC(=O)CC3CCN(Cc4cccc(C(F)(F)F)c4)CC3)ccc21 ZINC000019748867 556893276 /nfs/dbraw/zinc/89/32/76/556893276.db2.gz JBEKPTASZHDZFK-UHFFFAOYSA-N 0 1 447.457 4.391 40 0 IIABMN Cc1cc(C)nc(N2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)n1 ZINC000072371402 556938495 /nfs/dbraw/zinc/93/84/95/556938495.db2.gz YJONQRCTEZLCPZ-MRXNPFEDSA-N 0 1 431.462 4.451 40 0 IIABMN COc1ccc(OCCc2cc([C@@H]3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)n[nH]2)cc1 ZINC000072371403 556938611 /nfs/dbraw/zinc/93/86/11/556938611.db2.gz YAPLXJUGZRUXKY-GOSISDBHSA-N 0 1 444.535 4.080 40 0 IIABMN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2)n1 ZINC000072374886 556949475 /nfs/dbraw/zinc/94/94/75/556949475.db2.gz GPCXXFFYDIYQRY-IBGZPJMESA-N 0 1 437.569 4.109 40 0 IIABMN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)CC4(O)CCCCC4)C3)c2)n1 ZINC000072375011 556950074 /nfs/dbraw/zinc/95/00/74/556950074.db2.gz MCBYFCOKWBATQQ-HXUWFJFHSA-N 0 1 437.588 4.332 40 0 IIABMN Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(C(=O)CCN(C)c3cccc(F)c3)C2)n1 ZINC000072375065 556950328 /nfs/dbraw/zinc/95/03/28/556950328.db2.gz YCOPXUOOACTPAC-LJQANCHMSA-N 0 1 448.546 4.295 40 0 IIABMN Cc1csc(Nc2cccc([C@H]3CCCN3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)n1 ZINC000072375656 556952242 /nfs/dbraw/zinc/95/22/42/556952242.db2.gz VBLXFFOGBQINFL-GOSISDBHSA-N 0 1 434.569 4.118 40 0 IIABMN O=C(CSCc1ccccc1Cl)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020111630 556986307 /nfs/dbraw/zinc/98/63/07/556986307.db2.gz NDLZQJRWQIOHOE-UHFFFAOYSA-N 0 1 447.969 4.408 40 0 IIABMN COC(=O)c1ccc(Cl)c(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c1 ZINC000409408403 557107829 /nfs/dbraw/zinc/10/78/29/557107829.db2.gz CIKCCDYJTFVWMP-UHFFFAOYSA-N 0 1 444.896 4.180 40 0 IIABMN COc1cc2ccccc2cc1C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000216307076 557142625 /nfs/dbraw/zinc/14/26/25/557142625.db2.gz IQQUXZIYYDWBQK-UHFFFAOYSA-N 0 1 433.489 4.297 40 0 IIABMN CCOc1ccc(CNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000010112411 557204846 /nfs/dbraw/zinc/20/48/46/557204846.db2.gz RQANNADATGSFLN-UHFFFAOYSA-N 0 1 444.940 4.470 40 0 IIABMN COc1ccc(OC)c(CN2CCC([C@H](NC(=O)CC(C)C)c3ccccn3)CC2)c1 ZINC000057774023 557263659 /nfs/dbraw/zinc/26/36/59/557263659.db2.gz BQOLDRJBAWEMME-VWLOTQADSA-N 0 1 425.573 4.214 40 0 IIABMN Cc1nn(-c2ccccc2)c2ncc(C(=O)Nc3ccc(OC(F)(F)F)cc3)c(O)c12 ZINC000010166770 557335028 /nfs/dbraw/zinc/33/50/28/557335028.db2.gz HOAJZDQPEWSVLJ-UHFFFAOYSA-N 0 1 428.370 4.173 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCCCC2)c1 ZINC000026116059 557444626 /nfs/dbraw/zinc/44/46/26/557444626.db2.gz TWQOOYLPGDXSMW-UHFFFAOYSA-N 0 1 434.583 4.152 40 0 IIABMN CSc1ccc(S(=O)(=O)Nc2ccccc2OC(C)C)cc1C(=O)N1CCCC1 ZINC000223791103 557513869 /nfs/dbraw/zinc/51/38/69/557513869.db2.gz IHONKMZZDBCJKF-UHFFFAOYSA-N 0 1 434.583 4.233 40 0 IIABMN CN1CCN(c2ccc(NC(=S)NCc3ccc(-c4ccc(Cl)cc4)o3)cn2)CC1 ZINC000223916608 557528542 /nfs/dbraw/zinc/52/85/42/557528542.db2.gz YIBLXDCYMVOKQY-UHFFFAOYSA-N 0 1 441.988 4.233 40 0 IIABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)N[C@H](CC(C)C)c3ccccc3)s2)cc1 ZINC000224945218 557669876 /nfs/dbraw/zinc/66/98/76/557669876.db2.gz LDBVCRGKRPCNQM-GOSISDBHSA-N 0 1 444.582 4.165 40 0 IIABMN COc1cc(CN2CCC(NC(=S)Nc3cccc(C)c3C)CC2)cc(OC)c1OC ZINC000225228347 557702676 /nfs/dbraw/zinc/70/26/76/557702676.db2.gz KZOCGQNYMLYUQT-UHFFFAOYSA-N 0 1 443.613 4.280 40 0 IIABMN CCc1ccccc1NC(=S)NC1CCN(Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000225229089 557702887 /nfs/dbraw/zinc/70/28/87/557702887.db2.gz KTYKOPYBZPFPMN-UHFFFAOYSA-N 0 1 443.613 4.226 40 0 IIABMN O=C(Nc1nnc(-c2ccccc2)s1)c1ccccc1NS(=O)(=O)c1ccccc1 ZINC000225779849 557777294 /nfs/dbraw/zinc/77/72/94/557777294.db2.gz DMUUJTQAJUCEIH-UHFFFAOYSA-N 0 1 436.518 4.258 40 0 IIABMN Cc1cc(C)nc(Nc2ccc(C(=O)NCCSc3nc(-c4ccccc4)n[nH]3)cc2)n1 ZINC000225912718 557791565 /nfs/dbraw/zinc/79/15/65/557791565.db2.gz WFWZRQHLEJOAQC-UHFFFAOYSA-N 0 1 445.552 4.144 40 0 IIABMN CN(CCC(=O)N1CCC[C@@H]1c1ccnc(-c2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257211420 568670521 /nfs/dbraw/zinc/67/05/21/568670521.db2.gz BYUJEJMYGSUNDZ-JOCHJYFZSA-N 0 1 435.959 4.378 40 0 IIABMN Cc1nc(Nc2cc(C)nc([C@H]3CCN(C(=O)c4n[nH]c5c4CCCC5)C3)c2)sc1C ZINC000257225809 568677113 /nfs/dbraw/zinc/67/71/13/568677113.db2.gz FHXDKCHVCFNLCL-INIZCTEOSA-N 0 1 436.585 4.439 40 0 IIABMN CCc1nnc([N-]c2cccc([C@@H]3CCCN(C(=O)CC4CC[NH+](CC)CC4)C3)n2)s1 ZINC000257229191 568678352 /nfs/dbraw/zinc/67/83/52/568678352.db2.gz FXBJBYADNONIAR-GOSISDBHSA-N 0 1 442.633 4.067 40 0 IIABMN Cc1nc([C@H]2CCCN(Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257243308 568685271 /nfs/dbraw/zinc/68/52/71/568685271.db2.gz IGHXUMIMRSTAPJ-FQEVSTJZSA-N 0 1 433.531 4.188 40 0 IIABMN CCCN1CCN(Cc2[nH]c(CC)nc2C)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257244829 568686165 /nfs/dbraw/zinc/68/61/65/568686165.db2.gz IMZXXNGPQFEQOQ-QHCPKHFHSA-N 0 1 445.611 4.256 40 0 IIABMN Cc1csc(Nc2cc(C)nc([C@H]3CCCN(C(=O)Cc4c(C)noc4C)C3)c2)n1 ZINC000257264797 568695241 /nfs/dbraw/zinc/69/52/41/568695241.db2.gz LWBAJSYJPHXAHS-KRWDZBQOSA-N 0 1 425.558 4.452 40 0 IIABMN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)N2C(=O)c1[nH]nc2ccccc21 ZINC000257321290 568720465 /nfs/dbraw/zinc/72/04/65/568720465.db2.gz WAZHZPVRYDZXEY-KLWMKENUSA-N 0 1 442.563 4.178 40 0 IIABMN CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329811 568724244 /nfs/dbraw/zinc/72/42/44/568724244.db2.gz XLPVYXJHZACUET-GJZUVCINSA-N 0 1 440.559 4.194 40 0 IIABMN Cc1ncsc1CN1CCC2(CC1)c1ccccc1N(Cc1ccccc1)S2(=O)=O ZINC000306139501 568771227 /nfs/dbraw/zinc/77/12/27/568771227.db2.gz SYVHJIBVCRCSAE-UHFFFAOYSA-N 0 1 439.606 4.293 40 0 IIABMN CC(C)c1nc(N[C@H](CO)C(C)C)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329051428 568810612 /nfs/dbraw/zinc/81/06/12/568810612.db2.gz UXACRHCFOHDMBS-GOSISDBHSA-N 0 1 433.394 4.354 40 0 IIABMN C[C@@H]1C[C@@H](OC[C@H](O)CN2CCN(c3cccc(C(F)(F)F)c3)CC2)CC(C)(C)C1 ZINC000034171018 568896177 /nfs/dbraw/zinc/89/61/77/568896177.db2.gz JPXOJNVGGPAPIF-DUXKGJEZSA-N 0 1 428.539 4.420 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)c2ccccc2OC)cc1 ZINC000009886174 569220081 /nfs/dbraw/zinc/22/00/81/569220081.db2.gz UQDOIMNMZWIXOJ-UHFFFAOYSA-N 0 1 426.494 4.065 40 0 IIABMN COc1ccc(-c2n[nH]cc2CN2[C@@H]3CCCC(=O)N[C@H]3C[C@H]2c2ccccc2F)cc1 ZINC000019711744 569234908 /nfs/dbraw/zinc/23/49/08/569234908.db2.gz FFZXOCNOXYGPTR-ZRBLBEILSA-N 0 1 434.515 4.209 40 0 IIABMN N#Cc1ccccc1COc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1 ZINC000033590664 569244729 /nfs/dbraw/zinc/24/47/29/569244729.db2.gz LDHAIYJZGTVTNJ-CIAFOILYSA-N 0 1 427.416 4.233 40 0 IIABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000012017366 569303576 /nfs/dbraw/zinc/30/35/76/569303576.db2.gz PUCZXUVHKHVZFL-HJOGWXRNSA-N 0 1 444.487 4.063 40 0 IIABMN CC(C)[C@@H](CO)Nc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccncc2)n1 ZINC000329029642 569583280 /nfs/dbraw/zinc/58/32/80/569583280.db2.gz PZRLJALESDSSQQ-QGZVFWFLSA-N 0 1 434.327 4.723 40 0 IIABMN Cc1ccccc1CSCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020454617 525183797 /nfs/dbraw/zinc/18/37/97/525183797.db2.gz WFVIOJFEIMAYRS-UHFFFAOYSA-N 0 1 427.551 4.063 40 0 IIABMN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(=O)C(C)(C)C)c(C)c1 ZINC000009329723 555556742 /nfs/dbraw/zinc/55/67/42/555556742.db2.gz NOGABQKHFOYBGO-ODAXIHTASA-N 0 1 428.532 4.434 40 0 IIABMN Cc1ccc(F)c(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)c1 ZINC000408544255 555791754 /nfs/dbraw/zinc/79/17/54/555791754.db2.gz CGDCNXAMJQOSSH-UHFFFAOYSA-N 0 1 437.294 4.118 40 0 IIABMN COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1NC(=O)c1ccccc1 ZINC000408557126 555894881 /nfs/dbraw/zinc/89/48/81/555894881.db2.gz LFILTPCIUUGDHI-UHFFFAOYSA-N 0 1 426.494 4.065 40 0 IIABMN CS(=O)(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1C(=O)c1ccccc1 ZINC000408603769 555972962 /nfs/dbraw/zinc/97/29/62/555972962.db2.gz FXTKQTWFONMCED-UHFFFAOYSA-N 0 1 428.897 4.195 40 0 IIABMN CCOC(=O)C1(c2ccccc2)CCN(C[C@@H](O)COc2cc(C)ccc2C(C)C)CC1 ZINC000005179445 556035521 /nfs/dbraw/zinc/03/55/21/556035521.db2.gz CVUZDESWDDVEBS-HSZRJFAPSA-N 0 1 439.596 4.455 40 0 IIABMN CCOc1ccc([C@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)N2CCCC2)cc1 ZINC000028296079 556451455 /nfs/dbraw/zinc/45/14/55/556451455.db2.gz DKNUZRLUIYRGRR-QHCPKHFHSA-N 0 1 435.524 4.316 40 0 IIABMN O=C(NCc1ccccc1C[NH+]1CCCC1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000030536192 556497336 /nfs/dbraw/zinc/49/73/36/556497336.db2.gz CBNCTWIBWLFNAD-UHFFFAOYSA-N 0 1 449.576 4.013 40 0 IIABMN Cc1ccccc1C(=O)NC(=S)Nc1cc(Br)c(O)c(Br)c1 ZINC000032116584 556532423 /nfs/dbraw/zinc/53/24/23/556532423.db2.gz WWFLSDPOYPKOHR-UHFFFAOYSA-N 0 1 444.148 4.352 40 0 IIABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(C)cc4)c(O)c3ON2c2ccc(OC)cc2)cc1 ZINC000100841088 556596955 /nfs/dbraw/zinc/59/69/55/556596955.db2.gz YZCWRZXLAXRNDP-SGNDLWITSA-N 0 1 444.487 4.063 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccc(OC)cc2)cc1 ZINC000100841088 556596956 /nfs/dbraw/zinc/59/69/56/556596956.db2.gz YZCWRZXLAXRNDP-SGNDLWITSA-N 0 1 444.487 4.063 40 0 IIABMN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000044885272 556675281 /nfs/dbraw/zinc/67/52/81/556675281.db2.gz WFGAVFNHMUGMAS-NRFANRHFSA-N 0 1 439.537 4.295 40 0 IIABMN CC[C@@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000044885275 556675364 /nfs/dbraw/zinc/67/53/64/556675364.db2.gz WFGAVFNHMUGMAS-OAQYLSRUSA-N 0 1 439.537 4.295 40 0 IIABMN C[C@H](C(=O)N1CCC[C@H]1c1nc(Nc2ccccc2)cc(-c2ccncc2)n1)N1CCCC1 ZINC000019078739 556695433 /nfs/dbraw/zinc/69/54/33/556695433.db2.gz QYNZWUREGWOSCQ-XXBNENTESA-N 0 1 442.567 4.430 40 0 IIABMN O=C1O[C@@]2(CCN(Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccc(F)cc1 ZINC000257207296 556702050 /nfs/dbraw/zinc/70/20/50/556702050.db2.gz BHDGLMNLWZFSLP-AREMUKBSSA-N 0 1 447.510 4.397 40 0 IIABMN Fc1cccc(COc2ccccc2CN2CCOC[C@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257221086 556707866 /nfs/dbraw/zinc/70/78/66/556707866.db2.gz DNKIEROAYUSAER-OAQYLSRUSA-N 0 1 446.526 4.139 40 0 IIABMN Cc1ccc(OC[C@@]2(O)CCCN(CC(=O)NC(C)(C)Cc3ccccc3)CC2)c(C)c1 ZINC000257276954 556714628 /nfs/dbraw/zinc/71/46/28/556714628.db2.gz NVWQRRNMHLLGHE-HHHXNRCGSA-N 0 1 438.612 4.037 40 0 IIABMN CCOc1cc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000101099326 556717460 /nfs/dbraw/zinc/71/74/60/556717460.db2.gz 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557042517 /nfs/dbraw/zinc/04/25/17/557042517.db2.gz INELSHITHAPPNF-RPWUZVMVSA-N 0 1 443.522 4.249 40 0 IIABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)c1C ZINC000409411796 557104496 /nfs/dbraw/zinc/10/44/96/557104496.db2.gz ZTUQESBTKQENBM-UHFFFAOYSA-N 0 1 429.929 4.083 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000102728365 557131795 /nfs/dbraw/zinc/13/17/95/557131795.db2.gz ADWLDFXLYJEDMV-TZRRMPRUSA-N 0 1 444.487 4.063 40 0 IIABMN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102728747 557131816 /nfs/dbraw/zinc/13/18/16/557131816.db2.gz NCHDXFHHGQEGQN-TZRRMPRUSA-N 0 1 444.487 4.063 40 0 IIABMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102706720 557133159 /nfs/dbraw/zinc/13/31/59/557133159.db2.gz RHSRUBXZYIKUKT-TZRRMPRUSA-N 0 1 428.488 4.363 40 0 IIABMN O=C([O-])[C@H](c1c2ccccc2[nH]c1-c1ccccc1)[N@H+]1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2 ZINC000217534643 557170958 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40 0 IIABMN O=C(c1ccccc1)N1CCc2cc(S(=O)(=O)Nc3nc4c(s3)CCCC4)ccc21 ZINC000223266368 557452956 /nfs/dbraw/zinc/45/29/56/557452956.db2.gz JKZAJGOCLLPWRI-UHFFFAOYSA-N 0 1 439.562 4.026 40 0 IIABMN CCCSc1nnc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)s1 ZINC000225778376 557776831 /nfs/dbraw/zinc/77/68/31/557776831.db2.gz OBHAHZNUAPQWHQ-UHFFFAOYSA-N 0 1 448.595 4.402 40 0 IIABMN CN(CCC(=O)N1CCC[C@H]1c1ccnc(-c2cccc(Cl)c2)n1)Cc1ccccn1 ZINC000257211421 568670393 /nfs/dbraw/zinc/67/03/93/568670393.db2.gz BYUJEJMYGSUNDZ-QFIPXVFZSA-N 0 1 435.959 4.378 40 0 IIABMN O=C(OCc1ccccc1)N1C[C@H](O)[C@@H](N(Cc2ccccc2)Cc2cccc(F)c2)C1 ZINC000257219571 568674034 /nfs/dbraw/zinc/67/40/34/568674034.db2.gz DHGWBJFWTRYTMB-DQEYMECFSA-N 0 1 434.511 4.210 40 0 IIABMN O=C(C1CCCC1)N1CCO[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000257228056 568678205 /nfs/dbraw/zinc/67/82/05/568678205.db2.gz FSCKGLLCGJRXGZ-HXUWFJFHSA-N 0 1 437.462 4.140 40 0 IIABMN CCn1ncc(CN2CCO[C@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)c1C 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/nfs/dbraw/zinc/89/54/85/568895485.db2.gz JPXOJNVGGPAPIF-JRGCBEDISA-N 0 1 428.539 4.420 40 0 IIABMN Cc1nc(C2CCN(Cc3ccc(F)cc3)CC2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019766579 569239477 /nfs/dbraw/zinc/23/94/77/569239477.db2.gz RMVLAUKEOYQSPM-UHFFFAOYSA-N 0 1 436.506 4.373 40 0 IIABMN CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018024695 569284170 /nfs/dbraw/zinc/28/41/70/569284170.db2.gz NGTLWSVKRQPSLZ-SGNDLWITSA-N 0 1 428.488 4.445 40 0 IIABMN CC(C)(C)c1ccc(-c2cn(C[C@H]3C[C@@H]4CC[N@H+]3C[C@@H]4C(=O)NC3CCCCC3)nn2)cc1 ZINC000008298882 291378836 /nfs/dbraw/zinc/37/88/36/291378836.db2.gz GVEIWURQOSHIFV-ZTCOLXNVSA-N 0 1 449.643 4.402 40 0 biogenic,in-vitro IIABMN CCN(CC)Cc1nc(C2(O)CCN(Cc3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC000225463266 291381386 /nfs/dbraw/zinc/38/13/86/291381386.db2.gz WSTOFZNYBZWZMY-UHFFFAOYSA-N 0 1 427.536 4.487 40 0 biogenic,in-vitro IIABMN COc1ccc(CN2CCC(O)(c3csc(CN4CCc5ccccc5C4)n3)CC2)cc1 ZINC000225473350 291383376 /nfs/dbraw/zinc/38/33/76/291383376.db2.gz VFARGISFPVFTQS-UHFFFAOYSA-N 0 1 449.620 4.194 40 0 biogenic,in-vitro IIABMN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC[C@H](O)CN1CCN(c3cccc(C(F)(F)F)c3)CC1)C2 ZINC000035590764 520640944 /nfs/dbraw/zinc/64/09/44/520640944.db2.gz LKQOFRNBCVDUCM-TUUKDFBESA-N 0 1 440.550 4.420 40 0 IIABMN CCOC(=O)c1c(C)c(C)sc1NC(=O)[C@H](C)Sc1nc(-c2ccccc2O)n[nH]1 ZINC000012482886 521391080 /nfs/dbraw/zinc/39/10/80/521391080.db2.gz UHEQBHBBLCFJMY-LBPRGKRZSA-N 0 1 446.554 4.152 40 0 IIABMN COc1ccc(C)cc1CN1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000036734789 523809933 /nfs/dbraw/zinc/80/99/33/523809933.db2.gz UIALLSRHFRDELP-AVRDEDQJSA-N 0 1 436.581 4.238 40 0 IIABMN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 ZINC000020462182 524248678 /nfs/dbraw/zinc/24/86/78/524248678.db2.gz DBFTYKFYMBYLOM-SFHVURJKSA-N 0 1 439.537 4.214 40 0 IIABMN COc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2C(F)(F)F)cc1N1CCCC1=O ZINC000020495929 525080140 /nfs/dbraw/zinc/08/01/40/525080140.db2.gz 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COc1cc(/C=C2\NC(=O)NC2=O)cc(Cl)c1OCc1ccc(Cl)c(Cl)c1 ZINC000015012932 556484168 /nfs/dbraw/zinc/48/41/68/556484168.db2.gz IKGRQVJPQOCQOV-NSIKDUERSA-N 0 1 427.671 4.415 40 0 IIABMN CCOC(=O)c1cccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)c1 ZINC000013632697 556539793 /nfs/dbraw/zinc/53/97/93/556539793.db2.gz LYOMXCCOXMXADM-UHFFFAOYSA-N 0 1 438.505 4.225 40 0 IIABMN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000038754328 556616905 /nfs/dbraw/zinc/61/69/05/556616905.db2.gz HSGBKNKFNQWJKG-FQEVSTJZSA-N 0 1 445.928 4.332 40 0 IIABMN COc1cccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1OC ZINC000019082067 556697007 /nfs/dbraw/zinc/69/70/07/556697007.db2.gz WJHLYLIHZQTODK-QFIPXVFZSA-N 0 1 425.573 4.214 40 0 IIABMN Fc1ccccc1OCCc1cc([C@@H]2CN(Cc3ccnc4ccccc34)CCO2)n[nH]1 ZINC000257279362 556714596 /nfs/dbraw/zinc/71/45/96/556714596.db2.gz OGGDNYJJJVIASL-VWLOTQADSA-N 0 1 432.499 4.292 40 0 IIABMN Cc1cccc(C(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CN(Cc2cccs2)CC3)c1 ZINC000019234424 556718480 /nfs/dbraw/zinc/71/84/80/556718480.db2.gz SZLZEYSEEMKUDA-JOCHJYFZSA-N 0 1 448.592 4.066 40 0 IIABMN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(Cc3cccc(F)c3F)C2)n1 ZINC000019290178 556730032 /nfs/dbraw/zinc/73/00/32/556730032.db2.gz LUWJCFQVOLFEBC-SFHVURJKSA-N 0 1 438.526 4.135 40 0 IIABMN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@@H]2CCCN(Cc3ccc(F)c(F)c3)C2)n1 ZINC000019290166 556730168 /nfs/dbraw/zinc/73/01/68/556730168.db2.gz FXSPLGUARXLNGI-GOSISDBHSA-N 0 1 438.526 4.135 40 0 IIABMN O=C(c1cccc(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019293557 556733172 /nfs/dbraw/zinc/73/31/72/556733172.db2.gz SAYQDOLDFAOJKE-QFIPXVFZSA-N 0 1 438.547 4.380 40 0 IIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Sc3ccccc3)cc2)n1 ZINC000145287746 556744044 /nfs/dbraw/zinc/74/40/44/556744044.db2.gz BRSYHIZZIFCJMB-INIZCTEOSA-N 0 1 442.566 4.014 40 0 IIABMN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)c4cccs4)[n-]c(=O)c3C2)CC1 ZINC000019496008 556768805 /nfs/dbraw/zinc/76/88/05/556768805.db2.gz VRJOPKXRWFBMKL-LADRWXRNSA-N 0 1 426.586 4.158 40 0 IIABMN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)c4cccs4)[n-]c(=O)c3C2)CC1 ZINC000019496008 556768808 /nfs/dbraw/zinc/76/88/08/556768808.db2.gz VRJOPKXRWFBMKL-LADRWXRNSA-N 0 1 426.586 4.158 40 0 IIABMN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)Cc2cccc(OC)c2)CC1)c1ccccc1 ZINC000019526676 556785151 /nfs/dbraw/zinc/78/51/51/556785151.db2.gz VPWBSISXUQMXMS-UHFFFAOYSA-N 0 1 446.551 4.034 40 0 IIABMN CCOc1ncc(C2(O)CCN(Cc3ccc(-c4ccc(F)cc4)o3)CC2)c(OCC)n1 ZINC000019531731 556792338 /nfs/dbraw/zinc/79/23/38/556792338.db2.gz FIINBEQDFRHATL-UHFFFAOYSA-N 0 1 441.503 4.157 40 0 IIABMN COc1ccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CCN(Cc4cccc(F)c4F)C[C@@H]23)cc1 ZINC000019557333 556799685 /nfs/dbraw/zinc/79/96/85/556799685.db2.gz GIWIWWCKCQPMFV-FUDKSRODSA-N 0 1 426.507 4.200 40 0 IIABMN COc1ccc2c(c1)[C@@H](O)CC1(CCN(C[C@@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000019562192 556803580 /nfs/dbraw/zinc/80/35/80/556803580.db2.gz OEIARFRPPRTDFJ-VQTJNVASSA-N 0 1 438.351 4.386 40 0 IIABMN CN(C)c1cc([C@@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)CC2CCCCC2)n1 ZINC000019701020 556860944 /nfs/dbraw/zinc/86/09/44/556860944.db2.gz XTJAEXFOJRUAPN-LJQANCHMSA-N 0 1 439.579 4.214 40 0 IIABMN CC(=O)Nc1ccc(C(=O)N2CCC[C@H]2c2cc(CCOc3cccc(F)c3)[nH]n2)cc1 ZINC000019703645 556862276 /nfs/dbraw/zinc/86/22/76/556862276.db2.gz ZPRLDLBFDTVYGM-QHCPKHFHSA-N 0 1 436.487 4.106 40 0 IIABMN Cc1ccccc1OCCC(=O)N1CCC[C@@H](c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)C1 ZINC000019742174 556885932 /nfs/dbraw/zinc/88/59/32/556885932.db2.gz GTLXLXQBABAHOD-CQSZACIVSA-N 0 1 447.461 4.042 40 0 IIABMN CC(C)c1cc(C(=O)N2CCC3(C[C@@]4(CO3)Nc3ccccc3-n3cccc34)CC2)n[nH]1 ZINC000072327265 556903946 /nfs/dbraw/zinc/90/39/46/556903946.db2.gz QGJWVJQJTFZBOT-VWLOTQADSA-N 0 1 431.540 4.040 40 0 IIABMN O=C1N/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1Cc1ccc(F)cc1 ZINC000409012680 556918664 /nfs/dbraw/zinc/91/86/64/556918664.db2.gz RHLAPAXGQBAMNJ-NSIKDUERSA-N 0 1 425.641 4.040 40 0 IIABMN O=C(CN1CCC[C@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCCC1 ZINC000072358524 556931712 /nfs/dbraw/zinc/93/17/12/556931712.db2.gz LMZQBAFJJGIFJO-SFHVURJKSA-N 0 1 432.490 4.354 40 0 IIABMN CC1CCN(c2ncc(CN3CCC[C@H]3Cc3c4ccccc4sc3C(N)=O)cn2)CC1 ZINC000072370322 556934463 /nfs/dbraw/zinc/93/44/63/556934463.db2.gz OJPPYOYGAOXBRW-IBGZPJMESA-N 0 1 449.624 4.234 40 0 IIABMN CN(C(=O)CN1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)C1CCCCC1 ZINC000072371246 556937850 /nfs/dbraw/zinc/93/78/50/556937850.db2.gz DETGXKDLFNLRTH-GOSISDBHSA-N 0 1 445.007 4.265 40 0 IIABMN CN(C(=O)CN1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)[nH]n2)C1)C1CCCCC1 ZINC000072371246 556937853 /nfs/dbraw/zinc/93/78/53/556937853.db2.gz DETGXKDLFNLRTH-GOSISDBHSA-N 0 1 445.007 4.265 40 0 IIABMN O=C(COc1ccccc1)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371275 556938089 /nfs/dbraw/zinc/93/80/89/556938089.db2.gz CLVVCLYXMSVSDO-KRWDZBQOSA-N 0 1 425.916 4.080 40 0 IIABMN O=C(c1ccc2ncccc2c1)N1CC[C@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000072371451 556938654 /nfs/dbraw/zinc/93/86/54/556938654.db2.gz IPBJWEZDXZTRCB-SFHVURJKSA-N 0 1 448.473 4.487 40 0 IIABMN Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(CCOc4ccccc4C(F)(F)F)[nH]n3)C2)o1 ZINC000072371538 556939462 /nfs/dbraw/zinc/93/94/62/556939462.db2.gz GIUILFDRCCXIPD-OAHLLOKOSA-N 0 1 448.445 4.285 40 0 IIABMN O=C(COc1ccc(F)cc1)N1CC[C@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371698 556940514 /nfs/dbraw/zinc/94/05/14/556940514.db2.gz KWCDRRKCXVLMMD-INIZCTEOSA-N 0 1 443.906 4.219 40 0 IIABMN Cc1cc(C)nc(Nc2ccc(C3CCN(CC(=O)N(C)C4CCCCC4)CC3)nc2)n1 ZINC000072374181 556947333 /nfs/dbraw/zinc/94/73/33/556947333.db2.gz YGWGAUWMGVXKCW-UHFFFAOYSA-N 0 1 436.604 4.203 40 0 IIABMN Cc1cccc(Nc2cccc([C@@H]3CCCN3C(=O)CCc3n[nH]c4c3CCCC4)n2)n1 ZINC000072375509 556951628 /nfs/dbraw/zinc/95/16/28/556951628.db2.gz UXKKWVQYISZCNK-QFIPXVFZSA-N 0 1 430.556 4.427 40 0 IIABMN Cc1cc2nc3s/c(=C\c4cc(Cl)cc(Br)c4O)c(=O)n3c2cc1C ZINC000409392124 557096591 /nfs/dbraw/zinc/09/65/91/557096591.db2.gz LGZLEMWMGVKXID-UUASQNMZSA-N 0 1 435.730 4.195 40 0 IIABMN CCOC(=O)c1cccc(NC(=O)CSc2nc3ccc(Br)cc3[nH]2)c1 ZINC000020765326 557127606 /nfs/dbraw/zinc/12/76/06/557127606.db2.gz LYCVITFHLQDDDK-UHFFFAOYSA-N 0 1 434.315 4.233 40 0 IIABMN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102724280 557131284 /nfs/dbraw/zinc/13/12/84/557131284.db2.gz BQFOUNRVJDTJHS-TZRRMPRUSA-N 0 1 444.487 4.069 40 0 IIABMN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102724280 557131286 /nfs/dbraw/zinc/13/12/86/557131286.db2.gz BQFOUNRVJDTJHS-TZRRMPRUSA-N 0 1 444.487 4.069 40 0 IIABMN O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)/C(=C/c1ccco1)c1ccccc1 ZINC000216423898 557145972 /nfs/dbraw/zinc/14/59/72/557145972.db2.gz OXLTVIPRRPOXAW-LTGZKZEYSA-N 0 1 446.488 4.050 40 0 IIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3F)c(F)c2)c(OC)c1 ZINC000008810700 557173139 /nfs/dbraw/zinc/17/31/39/557173139.db2.gz IDQJYZDBGUVFNQ-UHFFFAOYSA-N 0 1 448.447 4.035 40 0 IIABMN CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000219424995 557244660 /nfs/dbraw/zinc/24/46/60/557244660.db2.gz ZSSPLOFKUJWXRO-UHFFFAOYSA-N 0 1 442.922 4.400 40 0 IIABMN O[C@@H](COCC(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000040373155 557414545 /nfs/dbraw/zinc/41/45/45/557414545.db2.gz PGKFQFVOGGTPJW-HHHXNRCGSA-N 0 1 430.592 4.014 40 0 IIABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccncc3)ccc2Cl)c1 ZINC000014154076 557425924 /nfs/dbraw/zinc/42/59/24/557425924.db2.gz FHJHHGQGMSLWIK-UHFFFAOYSA-N 0 1 429.929 4.083 40 0 IIABMN COc1ccc(CCNC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3)c2)cc1 ZINC000014154389 557426234 /nfs/dbraw/zinc/42/62/34/557426234.db2.gz FAMVJUCPKBSSLG-UHFFFAOYSA-N 0 1 444.940 4.122 40 0 IIABMN COc1c(Br)cc(Br)cc1CNCc1ccc2c(c1)OCO2 ZINC000016194493 557470628 /nfs/dbraw/zinc/47/06/28/557470628.db2.gz QWDHKNPFQGYHQN-UHFFFAOYSA-N 0 1 429.108 4.239 40 0 IIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cc(C)ccc3C)cc2)c1 ZINC000225051140 557682979 /nfs/dbraw/zinc/68/29/79/557682979.db2.gz ZMELCINHKZRDGU-UHFFFAOYSA-N 0 1 440.521 4.374 40 0 IIABMN COC(=O)c1ccc(N2CCN(C)CC2)c(NC(=O)/C=C/c2ccc(-c3ccccc3)o2)c1 ZINC000059294274 557819839 /nfs/dbraw/zinc/81/98/39/557819839.db2.gz JDSZUSKIKRFAFD-JLHYYAGUSA-N 0 1 445.519 4.137 40 0 IIABMN CC(=O)c1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(F)cc3)no2)cc1 ZINC000015676070 560094607 /nfs/dbraw/zinc/09/46/07/560094607.db2.gz RGEBTPUHQBJGRA-FQEVSTJZSA-N 0 1 446.442 4.133 40 0 biogenic,in-vitro IIABMN Cc1nc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)C2CC2)n1 ZINC000008623198 565097677 /nfs/dbraw/zinc/09/76/77/565097677.db2.gz BRFVANMKRUNJKP-SXLOBPIMSA-N 0 1 444.501 4.175 40 0 biogenic,in-vitro IIABMN Cc1nc(-c2ccc(C(F)(F)F)cc2)cc([C@H]2CN3CC[C@H]2C[C@@H]3CNC(=O)C2CC2)n1 ZINC000008623198 565097681 /nfs/dbraw/zinc/09/76/81/565097681.db2.gz BRFVANMKRUNJKP-SXLOBPIMSA-N 0 1 444.501 4.175 40 0 biogenic,in-vitro IIABMN CC1(C)Oc2ccccc2[C@H]2O[C@H]3CC[N@@H+](Cc4ccc(OCC(=O)[O-])cc4)C[C@@H]3C[C@@H]21 ZINC000585262327 568616457 /nfs/dbraw/zinc/61/64/57/568616457.db2.gz BRPDCKBXIVNZML-OPQSODGTSA-N 0 1 437.536 4.289 40 0 IIABMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC(c2cccc(Nc3cnccn3)n2)CC1 ZINC000257203196 568666881 /nfs/dbraw/zinc/66/68/81/568666881.db2.gz APAGKFXCXMZIDC-UHFFFAOYSA-N 0 1 444.583 4.232 40 0 IIABMN CC(=O)N1CC[C@H](c2[nH]ncc2-c2ccnc(NCc3ccccc3OCC(C)C)c2)C1 ZINC000257228823 568678476 /nfs/dbraw/zinc/67/84/76/568678476.db2.gz FVKBJAWGCQNQPW-NRFANRHFSA-N 0 1 433.556 4.454 40 0 IIABMN CC(=O)N1[C@H]2C[C@@]3(C)[C@@H]1CCC[C@H]3N(C(=O)c1cc(C(C)C)[nH]n1)[C@H]2Cc1ccccc1 ZINC000257269826 568697492 /nfs/dbraw/zinc/69/74/92/568697492.db2.gz MROFLYGEPFPMDI-LSHRBJLDSA-N 0 1 434.584 4.148 40 0 IIABMN Cc1cc(Nc2ccc(F)cc2)cc([C@@H]2CCCN(CC(=O)NCc3ccccn3)C2)n1 ZINC000257326841 568723154 /nfs/dbraw/zinc/72/31/54/568723154.db2.gz WYUZNGGWVNEUOB-LJQANCHMSA-N 0 1 433.531 4.164 40 0 IIABMN CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329809 568724016 /nfs/dbraw/zinc/72/40/16/568724016.db2.gz XLPVYXJHZACUET-ATIYNZHBSA-N 0 1 440.559 4.194 40 0 IIABMN Cc1nc2ccccn2c1CN1CCC[C@H](c2n[nH]cc2C(=O)N(C)C2CCCCC2)C1 ZINC000257340900 568728836 /nfs/dbraw/zinc/72/88/36/568728836.db2.gz ZHZZTKVSGFUSKG-IBGZPJMESA-N 0 1 434.588 4.150 40 0 IIABMN Cc1cnc(Nc2cc([C@H]3CCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)nc(C)n2)s1 ZINC000257343690 568730228 /nfs/dbraw/zinc/73/02/28/568730228.db2.gz ZUAWLDAXOVIIAE-HNNXBMFYSA-N 0 1 433.541 4.108 40 0 IIABMN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H](C(=O)C(C)(C)C)N2C=Cc4ccccc4[C@@H]32)cc1C ZINC000103533730 568897227 /nfs/dbraw/zinc/89/72/27/568897227.db2.gz FYLCRYPUYAAHSU-LUKWVAJMSA-N 0 1 428.532 4.434 40 0 IIABMN COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1ccc(-c2cn3cccnc3n2)cc1 ZINC000013566821 569217355 /nfs/dbraw/zinc/21/73/55/569217355.db2.gz PLGGRJZFJUPUHC-UHFFFAOYSA-N 0 1 428.901 4.168 40 0 IIABMN CC(C)n1c(CN2CCC(c3nc(-c4ccccc4)c(C(N)=O)[nH]3)CC2)nc2ccccc21 ZINC000019698817 569230154 /nfs/dbraw/zinc/23/01/54/569230154.db2.gz PHZYNXAOICZZEF-UHFFFAOYSA-N 0 1 442.567 4.486 40 0 IIABMN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000017751813 569265115 /nfs/dbraw/zinc/26/51/15/569265115.db2.gz DGJULFFNUSNKAN-SGNDLWITSA-N 0 1 444.487 4.150 40 0 IIABMN COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018046018 569284356 /nfs/dbraw/zinc/28/43/56/569284356.db2.gz YCFGGOFKEXXIIW-HJOGWXRNSA-N 0 1 428.488 4.363 40 0 IIABMN COc1cccc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2cccc(C(N)=O)c2)c1 ZINC000019687685 569326292 /nfs/dbraw/zinc/32/62/92/569326292.db2.gz FLZVXWWNSUIFGY-QHCPKHFHSA-N 0 1 445.567 4.044 40 0 IIABMN CC(C)c1ccccc1O[C@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020460465 519847891 /nfs/dbraw/zinc/84/78/91/519847891.db2.gz UTRKHHXQZONIBL-QGZVFWFLSA-N 0 1 439.537 4.412 40 0 IIABMN CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OCC[C@H](O)CN1CCN(Cc3ccc(Cl)cc3)CC1)C2 ZINC000035075024 520642848 /nfs/dbraw/zinc/64/28/48/520642848.db2.gz SLGAZMNXJUEMDL-SJHORNLWSA-N 0 1 435.052 4.440 40 0 IIABMN Cc1cccc(C)c1NC(=O)CSc1nc(-c2cc(Br)ccc2O)n[nH]1 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CC(C)c1cc(C(=O)NCc2ccc(-c3[nH]ncc3C(=O)N(C)c3ccccc3)cc2)on1 ZINC000019453059 556763853 /nfs/dbraw/zinc/76/38/53/556763853.db2.gz SNHSHQWMJIFGCV-UHFFFAOYSA-N 0 1 443.507 4.395 40 0 IIABMN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCCCC4)[n-]c(=O)c3C2)CC1 ZINC000019495982 556768643 /nfs/dbraw/zinc/76/86/43/556768643.db2.gz PKXMERRELUUPNN-FQVRHNBASA-N 0 1 426.605 4.363 40 0 IIABMN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)C4CCCCC4)[n-]c(=O)c3C2)CC1 ZINC000019495982 556768645 /nfs/dbraw/zinc/76/86/45/556768645.db2.gz PKXMERRELUUPNN-FQVRHNBASA-N 0 1 426.605 4.363 40 0 IIABMN CCN1CCN(C(=O)c2cc(C(C)C)[nH]n2)C[C@@H](Cc2ccccc2-c2ccccc2)C1=O ZINC000019527648 556786536 /nfs/dbraw/zinc/78/65/36/556786536.db2.gz KWRQRTTTWLURJD-JOCHJYFZSA-N 0 1 444.579 4.363 40 0 IIABMN Cc1cc(C)cc(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000001380589 556796596 /nfs/dbraw/zinc/79/65/96/556796596.db2.gz QLMIYMCWEYHDLD-UHFFFAOYSA-N 0 1 431.462 4.343 40 0 IIABMN COc1ccc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(OC)c1 ZINC000019585276 556822411 /nfs/dbraw/zinc/82/24/11/556822411.db2.gz NNRVHBNJNJJERR-QFIPXVFZSA-N 0 1 433.556 4.349 40 0 IIABMN Cc1nc([C@@H]2CCCN(Cc3ccccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695808 556852681 /nfs/dbraw/zinc/85/26/81/556852681.db2.gz PUCQMIGJMHXIIB-HXUWFJFHSA-N 0 1 445.542 4.178 40 0 IIABMN Cc1nc([C@H]2CCCN(Cc3cccnc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000019695783 556852691 /nfs/dbraw/zinc/85/26/91/556852691.db2.gz SIHIBZUUIXUQOD-QHCPKHFHSA-N 0 1 441.579 4.082 40 0 IIABMN Nc1[nH]nc2nc([C@H]3CCCN(C(=O)c4nccc5ccccc54)C3)cc(C(F)(F)F)c12 ZINC000019742146 556885811 /nfs/dbraw/zinc/88/58/11/556885811.db2.gz BSCBCIKEHUSBCM-ZDUSSCGKSA-N 0 1 440.429 4.127 40 0 IIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3cccc(Cl)c3)cc2)c1 ZINC000408921017 556891034 /nfs/dbraw/zinc/89/10/34/556891034.db2.gz BDDBEUBRYBDCGH-UHFFFAOYSA-N 0 1 446.912 4.410 40 0 IIABMN Cc1ncc(CN2CCC(Cc3nn(C)cc3C(=O)Nc3ccc(F)cc3)CC2)s1 ZINC000019756288 556899979 /nfs/dbraw/zinc/89/99/79/556899979.db2.gz 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Cc1cc(Nc2ccccn2)cc([C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)n1 ZINC000072374888 556949386 /nfs/dbraw/zinc/94/93/86/556949386.db2.gz IRPNYUGINHXLLT-KRWDZBQOSA-N 0 1 426.517 4.236 40 0 IIABMN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ncccc3C)cc(C)n2)C1 ZINC000072375029 556950058 /nfs/dbraw/zinc/95/00/58/556950058.db2.gz FANIWSDOOZTNAE-GOSISDBHSA-N 0 1 441.557 4.010 40 0 IIABMN CC(C)NC(=O)[C@@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000072391216 556961803 /nfs/dbraw/zinc/96/18/03/556961803.db2.gz RJQKMBSRDUEIMQ-XMMPIXPASA-N 0 1 436.581 4.128 40 0 IIABMN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000072391225 556961873 /nfs/dbraw/zinc/96/18/73/556961873.db2.gz MXHSRSHWQUXQDF-SANMLTNESA-N 0 1 430.552 4.066 40 0 IIABMN CCOC(=O)[C@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(Cc2cncn2CC)C1 ZINC000072394074 556965562 /nfs/dbraw/zinc/96/55/62/556965562.db2.gz HKJIIOXFIROZNZ-VWLOTQADSA-N 0 1 436.556 4.254 40 0 IIABMN CCOC(=O)c1ccccc1NC(=O)CSc1nc2ccc(Br)cc2[nH]1 ZINC000020765329 557127648 /nfs/dbraw/zinc/12/76/48/557127648.db2.gz RNHMVWAITKGCLG-UHFFFAOYSA-N 0 1 434.315 4.233 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccc(F)cc1 ZINC000020766846 557129006 /nfs/dbraw/zinc/12/90/06/557129006.db2.gz IIVFGNJYJFETBS-UHFFFAOYSA-N 0 1 440.496 4.228 40 0 IIABMN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102739996 557132212 /nfs/dbraw/zinc/13/22/12/557132212.db2.gz DGJULFFNUSNKAN-TZRRMPRUSA-N 0 1 444.487 4.150 40 0 IIABMN CCCN1CCN(Cc2cccc(O)c2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000585183596 557139238 /nfs/dbraw/zinc/13/92/38/557139238.db2.gz IJASDSFQRUEPHW-XMMPIXPASA-N 0 1 429.564 4.367 40 0 IIABMN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(C(=O)/C=C/c4cccnc4)C3)c2)n1 ZINC000585293542 557231942 /nfs/dbraw/zinc/23/19/42/557231942.db2.gz ZCHQTZIGGGKHFT-SHBDEGQCSA-N 0 1 428.540 4.355 40 0 IIABMN Cc1cccc(C[N@@H+]2CCCC[C@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C(C)C)CC4)c1 ZINC000100243195 557255430 /nfs/dbraw/zinc/25/54/30/557255430.db2.gz HGBCZOOFJQCFJY-QHCPKHFHSA-N 0 1 447.583 4.011 40 0 IIABMN COc1cccc(OC)c1CN1CCC[C@@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000057774044 557263601 /nfs/dbraw/zinc/26/36/01/557263601.db2.gz RRNLSRWDBCCRJH-KBMIEXCESA-N 0 1 425.573 4.214 40 0 IIABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102196368 557458062 /nfs/dbraw/zinc/45/80/62/557458062.db2.gz OJWSVBCPLATMAB-BHIFYINESA-N 0 1 434.879 4.400 40 0 IIABMN CCn1c2ccc(NS(=O)(=O)c3ccc(OC)c(Cl)c3Cl)cc2sc1=O ZINC000225088591 557686605 /nfs/dbraw/zinc/68/66/05/557686605.db2.gz TZRQYZRHSDLJEA-UHFFFAOYSA-N 0 1 433.338 4.199 40 0 IIABMN Cn1nc(-c2ccccc2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=S)Nc1ccccc1 ZINC000008635783 565100699 /nfs/dbraw/zinc/10/06/99/565100699.db2.gz CDCFOTPQJYMECP-NNWRFLSQSA-N 0 1 431.609 4.252 40 0 biogenic,in-vitro IIABMN CC1(C)Oc2ccccc2[C@H]2O[C@H]3CC[N@@H+](Cc4ccc(OCC(=O)[O-])cc4)C[C@H]3C[C@@H]21 ZINC000257209709 568669829 /nfs/dbraw/zinc/66/98/29/568669829.db2.gz BRPDCKBXIVNZML-RSPLEMODSA-N 0 1 437.536 4.289 40 0 IIABMN CC(=O)N1[C@H](Cc2ccccc2)[C@@H]2C[C@@]3(C)[C@H](CCC[C@@H]13)[N@H+]2Cc1ccccc1C(=O)[O-] ZINC000257236725 568682242 /nfs/dbraw/zinc/68/22/42/568682242.db2.gz HDLXGXOXUZLIAZ-VJIOPBFVSA-N 0 1 432.564 4.360 40 0 IIABMN FC(F)(F)c1ccc(OCCc2cc([C@@H]3CN(Cc4ccccn4)CCO3)n[nH]2)cc1 ZINC000257275316 568699916 /nfs/dbraw/zinc/69/99/16/568699916.db2.gz NOVXNFDUVZOYAO-NRFANRHFSA-N 0 1 432.446 4.019 40 0 IIABMN Cc1nc([C@H]2CCCN(Cc3ccncc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257331478 568725202 /nfs/dbraw/zinc/72/52/02/568725202.db2.gz XTAUYLUZOXTTQB-FQEVSTJZSA-N 0 1 433.531 4.188 40 0 IIABMN COc1cccc(-c2ccc3nc([C@H]4CCCN(Cc5ccccn5)C4)nn3c2)c1OC ZINC000306125335 568763695 /nfs/dbraw/zinc/76/36/95/568763695.db2.gz CMXKGBKBQNSQLY-IBGZPJMESA-N 0 1 429.524 4.188 40 0 IIABMN CCn1cc(CN2CCC[C@@H](c3nc4ccc(-c5cccc(OC)c5OC)cn4n3)C2)cn1 ZINC000306144061 568773691 /nfs/dbraw/zinc/77/36/91/568773691.db2.gz YUYJZIDOOYWGQG-HXUWFJFHSA-N 0 1 446.555 4.010 40 0 IIABMN CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2CCc3ccc(Br)cc3C2)n1 ZINC000329051429 568810461 /nfs/dbraw/zinc/81/04/61/568810461.db2.gz UXACRHCFOHDMBS-SFHVURJKSA-N 0 1 433.394 4.354 40 0 IIABMN O=C(NCc1ccco1)c1ccccc1NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000009063502 569219978 /nfs/dbraw/zinc/21/99/78/569219978.db2.gz GBEWWVTYQFBSMY-UHFFFAOYSA-N 0 1 435.499 4.199 40 0 IIABMN COc1ccccc1-c1n[nH]c(SCC(=O)Nc2ccc(C)c(Br)c2)n1 ZINC000010475515 569224338 /nfs/dbraw/zinc/22/43/38/569224338.db2.gz GQDJJLOKRXPGEA-UHFFFAOYSA-N 0 1 433.331 4.282 40 0 IIABMN COc1cccc(CN2CCC(c3ncc(C(=O)Nc4ccccc4)c(C)n3)CC2)c1OC ZINC000019764189 569238401 /nfs/dbraw/zinc/23/84/01/569238401.db2.gz QGNARIOEYYVIAN-UHFFFAOYSA-N 0 1 446.551 4.434 40 0 IIABMN Cc1nc([C@@H]2CCCN(Cc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccc(F)cc1 ZINC000019765501 569238855 /nfs/dbraw/zinc/23/88/55/569238855.db2.gz DJQDICGVYSVKNG-HXUWFJFHSA-N 0 1 436.506 4.373 40 0 IIABMN COc1ccc(OC)c(NC(=O)c2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)c1 ZINC000020241825 569241182 /nfs/dbraw/zinc/24/11/82/569241182.db2.gz BHZYVDYNNPZKDO-UHFFFAOYSA-N 0 1 445.563 4.274 40 0 IIABMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000028206987 569242832 /nfs/dbraw/zinc/24/28/32/569242832.db2.gz HLVPYTYXLPSDKA-QGZVFWFLSA-N 0 1 436.533 4.478 40 0 IIABMN CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000018061339 569284795 /nfs/dbraw/zinc/28/47/95/569284795.db2.gz RJMNYYGBCXEPKN-SGNDLWITSA-N 0 1 444.487 4.150 40 0 IIABMN COc1cccc(CNC(=O)c2cnc([C@@H]3CCCN(Cc4ccc(F)cc4)C3)nc2C)c1 ZINC000019763355 569328867 /nfs/dbraw/zinc/32/88/67/569328867.db2.gz RRYDXOLAAUKVAX-OAQYLSRUSA-N 0 1 448.542 4.242 40 0 IIABMN COc1ccccc1CNC(=O)c1cnc(C2CCN(Cc3ccc(F)cc3)CC2)nc1C ZINC000019766567 569329012 /nfs/dbraw/zinc/32/90/12/569329012.db2.gz YYQFANRXKQCJQI-UHFFFAOYSA-N 0 1 448.542 4.242 40 0 IIABMN CCOc1ccc(-c2nnc([C@H](N)c3ccc(OCC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534630 569374600 /nfs/dbraw/zinc/37/46/00/569374600.db2.gz CSNQOTLTIJTWMN-OAQYLSRUSA-N 0 1 426.517 4.115 40 0 IIABMN CC(C)NC(=O)N1CC[C@@H](CC(=O)[O-])[C@@H](CC2=[NH+]CCc3ccc(C(C)(C)C)cc32)C1 ZINC000049590564 291379513 /nfs/dbraw/zinc/37/95/13/291379513.db2.gz PKFCTUMBWKRHHH-OALUTQOASA-N 0 1 427.589 4.250 40 0 biogenic,in-vitro IIABMN COc1ccc(CN2[C@@H]3CC[C@H]2c2cnc4cc(C(C)(C)C)nn4c2C3)cc1CN(C)C ZINC000036719068 524043371 /nfs/dbraw/zinc/04/33/71/524043371.db2.gz CCRRAMXRVQQWFX-CTNGQTDRSA-N 0 1 433.600 4.359 40 0 IIABMN Cc1ccc2c(c1)c(=O)cc(C(F)(F)F)n2CC1(O)CCN(Cc2cccs2)CC1 ZINC000012233934 526215631 /nfs/dbraw/zinc/21/56/31/526215631.db2.gz JBZAVVMQUFGXHZ-UHFFFAOYSA-N 0 1 436.499 4.417 40 0 IIABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3cccc(Cl)c3Cl)n2)c1 ZINC000408638837 556016207 /nfs/dbraw/zinc/01/62/07/556016207.db2.gz TVYYUWJAOHAYAW-UHFFFAOYSA-N 0 1 436.324 4.468 40 0 IIABMN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000038754330 556616965 /nfs/dbraw/zinc/61/69/65/556616965.db2.gz HSGBKNKFNQWJKG-HXUWFJFHSA-N 0 1 445.928 4.332 40 0 IIABMN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000044838921 556668043 /nfs/dbraw/zinc/66/80/43/556668043.db2.gz IFICSDUAWRDHCV-OAQYLSRUSA-N 0 1 439.537 4.295 40 0 IIABMN CC[C@@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856982 556672837 /nfs/dbraw/zinc/67/28/37/556672837.db2.gz ONAICEYYTDMUCT-JOCHJYFZSA-N 0 1 449.016 4.223 40 0 IIABMN CC[C@@H](NC(=O)C1CCN(Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856980 556672855 /nfs/dbraw/zinc/67/28/55/556672855.db2.gz AANBERVWZWRWII-JOCHJYFZSA-N 0 1 449.016 4.223 40 0 IIABMN C[C@@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000044884829 556675070 /nfs/dbraw/zinc/67/50/70/556675070.db2.gz ZQFLAQYDRWBUPO-MRXNPFEDSA-N 0 1 427.551 4.143 40 0 IIABMN CC[C@@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000044886113 556675790 /nfs/dbraw/zinc/67/57/90/556675790.db2.gz HLFGFSKBKKPKIF-LJQANCHMSA-N 0 1 445.928 4.332 40 0 IIABMN COc1ccc2c(c1)c(CN(Cc1ccncc1)Cc1ccc(C)cc1)cn2CC(N)=O ZINC000019210184 556708799 /nfs/dbraw/zinc/70/87/99/556708799.db2.gz JYXXYKRADCAWJV-UHFFFAOYSA-N 0 1 428.536 4.041 40 0 IIABMN COc1ccc(F)cc1-c1ccc(CC2(C(=O)N[C@H]3CCCN(C)C3)CCOCC2)cc1 ZINC000257267759 556713515 /nfs/dbraw/zinc/71/35/15/556713515.db2.gz MIQFSZAEBZYQDF-QFIPXVFZSA-N 0 1 440.559 4.051 40 0 IIABMN CCOc1ccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000101197191 556762118 /nfs/dbraw/zinc/76/21/18/556762118.db2.gz NGTLWSVKRQPSLZ-HJOGWXRNSA-N 0 1 428.488 4.445 40 0 IIABMN CNC(=O)[C@@]1(Cc2ccccc2-c2ccccc2)CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000019451779 556762677 /nfs/dbraw/zinc/76/26/77/556762677.db2.gz MZZWMQPBEROVLE-HHHXNRCGSA-N 0 1 444.579 4.411 40 0 IIABMN CC1CCC([N@@H+]2CCc3nc([C@H]4CCCN4C(=O)Cc4ccccc4)[n-]c(=O)c3C2)CC1 ZINC000019495996 556768684 /nfs/dbraw/zinc/76/86/84/556768684.db2.gz CVJPRUAGPZDJBK-KXNZUKPASA-N 0 1 434.584 4.025 40 0 IIABMN CC1CCC([N@H+]2CCc3nc([C@H]4CCCN4C(=O)Cc4ccccc4)[n-]c(=O)c3C2)CC1 ZINC000019495996 556768686 /nfs/dbraw/zinc/76/86/86/556768686.db2.gz CVJPRUAGPZDJBK-KXNZUKPASA-N 0 1 434.584 4.025 40 0 IIABMN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@H]1CCCN(Cc2cnc(N(C)C)nc2)C1 ZINC000019522026 556778952 /nfs/dbraw/zinc/77/89/52/556778952.db2.gz GXLXWFYYHWIXAO-AWEZNQCLSA-N 0 1 434.466 4.040 40 0 IIABMN CCc1ccccc1NC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000001380620 556796944 /nfs/dbraw/zinc/79/69/44/556796944.db2.gz WVAZIVBBXHONOM-UHFFFAOYSA-N 0 1 431.462 4.288 40 0 IIABMN COc1ccc(CN2CCC([C@@H](NC(=O)C3CCCC3)c3ccccn3)CC2)cc1OC ZINC000019560856 556802302 /nfs/dbraw/zinc/80/23/02/556802302.db2.gz VQQOVWXXNUGCLW-RUZDIDTESA-N 0 1 437.584 4.359 40 0 IIABMN COc1cccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(Cc4ccc(F)c(F)c4)C[C@@H]32)c1 ZINC000019566329 556807145 /nfs/dbraw/zinc/80/71/45/556807145.db2.gz APIWRBGKPGRDHV-PQNGQFLHSA-N 0 1 426.507 4.200 40 0 IIABMN O=C(CN1CCCC1)N1CCC[C@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019688334 556842942 /nfs/dbraw/zinc/84/29/42/556842942.db2.gz ZELGMBYLWYFCHD-FQEVSTJZSA-N 0 1 431.502 4.493 40 0 IIABMN O=C(CN1CCCC1)N1CCC[C@@H](c2ccc(Cc3cccc(C(F)(F)F)c3)cn2)C1 ZINC000019688332 556843016 /nfs/dbraw/zinc/84/30/16/556843016.db2.gz ZELGMBYLWYFCHD-HXUWFJFHSA-N 0 1 431.502 4.493 40 0 IIABMN Cc1nc(C2CCN(Cc3cccnc3)CC2)nc2c1CCC(=O)N2Cc1cccc(F)c1 ZINC000019703709 556862160 /nfs/dbraw/zinc/86/21/60/556862160.db2.gz VAJISCKMALHFLS-UHFFFAOYSA-N 0 1 445.542 4.178 40 0 IIABMN CCOc1ccc(CN2CCC[C@H]2c2ccc3c(C)nn(-c4ccccn4)c3n2)cc1CO ZINC000019742454 556886442 /nfs/dbraw/zinc/88/64/42/556886442.db2.gz VLTBZXKBXCRPNK-QHCPKHFHSA-N 0 1 443.551 4.352 40 0 IIABMN CCc1c(C)nc2cc(C3CCOCC3)nn2c1NC[C@@H](c1ccccc1F)N(C)C ZINC000072336888 556909531 /nfs/dbraw/zinc/90/95/31/556909531.db2.gz QURXGKGIFLGKHD-QFIPXVFZSA-N 0 1 425.552 4.348 40 0 IIABMN COc1ccccc1/C=C/CN1CCC[C@@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000072337789 556910769 /nfs/dbraw/zinc/91/07/69/556910769.db2.gz HPDFJXXPPNBDQC-YBAQQERZSA-N 0 1 448.592 4.443 40 0 IIABMN CC(C)c1cc(C(=O)N2CCC(Cc3ccccc3-c3cccs3)(C(N)=O)CC2)n[nH]1 ZINC000072345079 556916591 /nfs/dbraw/zinc/91/65/91/556916591.db2.gz OCFASMDSIUCNQV-UHFFFAOYSA-N 0 1 436.581 4.212 40 0 IIABMN Cc1cc(C)nc(Nc2ccc([C@H]3CCCN(CC(=O)N(C)C4CCCCC4)C3)nc2)n1 ZINC000072353275 556926312 /nfs/dbraw/zinc/92/63/12/556926312.db2.gz WXZPKCLJVSINHT-FQEVSTJZSA-N 0 1 436.604 4.203 40 0 IIABMN CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCN1CC(=O)N1CCCCC1 ZINC000072370508 556935125 /nfs/dbraw/zinc/93/51/25/556935125.db2.gz MLYVKDAYADEIID-GOSISDBHSA-N 0 1 427.614 4.013 40 0 IIABMN O=C(CN1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)Nc1ccccc1F ZINC000072371252 556937862 /nfs/dbraw/zinc/93/78/62/556937862.db2.gz MSWPETCBKGVDPW-MRXNPFEDSA-N 0 1 442.922 4.252 40 0 IIABMN O=C(c1ccccn1)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371287 556937894 /nfs/dbraw/zinc/93/78/94/556937894.db2.gz WSGHVEJNYZPFGE-HNNXBMFYSA-N 0 1 430.430 4.075 40 0 IIABMN O=C(CN1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371241 556937996 /nfs/dbraw/zinc/93/79/96/556937996.db2.gz JOJRYRXINVRWPJ-INIZCTEOSA-N 0 1 442.922 4.252 40 0 IIABMN CCc1cc(C(=O)N2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)on1 ZINC000072371663 556940053 /nfs/dbraw/zinc/94/00/53/556940053.db2.gz JJIOQSMEBUTMFJ-AWEZNQCLSA-N 0 1 448.445 4.230 40 0 IIABMN CC(=O)c1c2nn(-c3nc4ccccc4s3)c(=O)c-2c(C)n(CCc2ccccc2)c1O ZINC000019894170 556940380 /nfs/dbraw/zinc/94/03/80/556940380.db2.gz RVEDWYXDZOUYFA-UHFFFAOYSA-N 0 1 444.516 4.208 40 0 IIABMN COc1ccc(C)cc1CC(=O)N1CC[C@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371701 556940526 /nfs/dbraw/zinc/94/05/26/556940526.db2.gz RRAGGEJIRKMGAB-SFHVURJKSA-N 0 1 437.515 4.046 40 0 IIABMN O=C(CCc1ccc(F)cc1)N1CC[C@@H](c2cc(CCOc3cccc(F)c3)[nH]n2)C1 ZINC000072371783 556940939 /nfs/dbraw/zinc/94/09/39/556940939.db2.gz DTZGRPVDYDHZMY-GOSISDBHSA-N 0 1 425.479 4.258 40 0 IIABMN Cc1nc(CC(=O)N2CCC[C@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)cs1 ZINC000072374536 556948457 /nfs/dbraw/zinc/94/84/57/556948457.db2.gz BMXHLFRZJOFQDU-FQEVSTJZSA-N 0 1 432.553 4.241 40 0 IIABMN Cc1cc(Nc2ncccn2)cc([C@@H]2CCCN(S(=O)(=O)c3ccccc3Cl)C2)n1 ZINC000072374911 556949391 /nfs/dbraw/zinc/94/93/91/556949391.db2.gz AVVCGILXXKRQDK-MRXNPFEDSA-N 0 1 443.960 4.145 40 0 IIABMN Cc1cc(C)nc(Nc2cc(C)nc([C@H]3CCCN(C(=O)CC4(O)CCCCC4)C3)c2)n1 ZINC000072375012 556950154 /nfs/dbraw/zinc/95/01/54/556950154.db2.gz MCBYFCOKWBATQQ-FQEVSTJZSA-N 0 1 437.588 4.332 40 0 IIABMN O=C(c1ccncc1)N1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072380161 556957912 /nfs/dbraw/zinc/95/79/12/556957912.db2.gz PALMPAUXHDVHKU-INIZCTEOSA-N 0 1 430.430 4.075 40 0 IIABMN CC(C)NC(=O)[C@]1(Cc2ccccc2-c2cccs2)CCCN(C(=O)c2ccn[nH]2)C1 ZINC000072391215 556961839 /nfs/dbraw/zinc/96/18/39/556961839.db2.gz RJQKMBSRDUEIMQ-DEOSSOPVSA-N 0 1 436.581 4.128 40 0 IIABMN Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc(C)c1Cl ZINC000020034791 556969723 /nfs/dbraw/zinc/96/97/23/556969723.db2.gz ZCAVLIJNHMXLMU-UHFFFAOYSA-N 0 1 445.928 4.170 40 0 IIABMN NC(=O)c1cc([C@H]2CC[C@H](CNC(=O)c3[nH]nc4c3CCCCC4)CC2)nc2ccccc21 ZINC000257251903 556988786 /nfs/dbraw/zinc/98/87/86/556988786.db2.gz JSUKYUCTDSADJZ-QAQDUYKDSA-N 0 1 445.567 4.030 40 0 IIABMN O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12)c1cccs1 ZINC000585110045 557042542 /nfs/dbraw/zinc/04/25/42/557042542.db2.gz ATQIMSHMHQZXCZ-NHCUHLMSSA-N 0 1 431.561 4.172 40 0 IIABMN COc1ccc(-c2ccc3nc(C4CCN(Cc5cccnc5)CC4)nn3c2)c(OC)c1 ZINC000096267322 557192806 /nfs/dbraw/zinc/19/28/06/557192806.db2.gz SQRROWCEBMNRBL-UHFFFAOYSA-N 0 1 429.524 4.188 40 0 IIABMN Cc1cnc(Nc2cc([C@H]3CCCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)nc(C)n2)s1 ZINC000585263520 557203735 /nfs/dbraw/zinc/20/37/35/557203735.db2.gz POVQWMOCWMLJCN-INIZCTEOSA-N 0 1 447.568 4.498 40 0 IIABMN CN(C)C(=O)N[C@H]1CC[C@H](CCN2CCN(c3cccc(Cl)c3Cl)CC2)CC1 ZINC000100153731 557244100 /nfs/dbraw/zinc/24/41/00/557244100.db2.gz KPWSJANDNDDRMB-CALCHBBNSA-N 0 1 427.420 4.336 40 0 in-man IIABMN Cc1cc(C)cc(OC[C@@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000026781396 557248497 /nfs/dbraw/zinc/24/84/97/557248497.db2.gz TWCLIQFMULLUEI-SANMLTNESA-N 0 1 430.592 4.450 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C)cc2)cc1 ZINC000224569795 557625052 /nfs/dbraw/zinc/62/50/52/557625052.db2.gz XPKYVXRFLYTIPY-UHFFFAOYSA-N 0 1 440.521 4.130 40 0 IIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(C)cc3C)cc2)c1 ZINC000225055200 557683470 /nfs/dbraw/zinc/68/34/70/557683470.db2.gz SKLFBTLLRQWBCR-UHFFFAOYSA-N 0 1 440.521 4.374 40 0 IIABMN Cc1cc(C)nc(Nc2ccccc2C(=O)NCCSc2nc(-c3ccccc3)n[nH]2)n1 ZINC000225916141 557791759 /nfs/dbraw/zinc/79/17/59/557791759.db2.gz PWYOMMSWRFYXTR-UHFFFAOYSA-N 0 1 445.552 4.144 40 0 IIABMN CCOc1cc2c(cc1CN1CCC(c3cncc(Nc4ncccn4)n3)CC1)O[C@@H](C)C2 ZINC000257212443 568671078 /nfs/dbraw/zinc/67/10/78/568671078.db2.gz CDKWJHNKCGXHSY-KRWDZBQOSA-N 0 1 446.555 4.112 40 0 IIABMN Cc1cc(Nc2nccs2)cc([C@H]2CCN(C(=O)CCc3nnc(C(C)C)o3)C2)n1 ZINC000257216901 568672757 /nfs/dbraw/zinc/67/27/57/568672757.db2.gz CWPCZBZVXQRSKP-HNNXBMFYSA-N 0 1 426.546 4.045 40 0 IIABMN O=C(COc1ccccc1F)N1CCC[C@H]1c1ccc2c(n[nH]c2NCc2ccccc2)n1 ZINC000257216468 568672941 /nfs/dbraw/zinc/67/29/41/568672941.db2.gz CUPWDJJSAFNKQF-NRFANRHFSA-N 0 1 445.498 4.452 40 0 IIABMN O=C([O-])C[N@@H+](Cc1ccc(Br)cc1F)C1CCN(c2cccc(F)c2)CC1 ZINC000257230112 568679180 /nfs/dbraw/zinc/67/91/80/568679180.db2.gz GAWHAYWNCDRPID-UHFFFAOYSA-N 0 1 439.300 4.283 40 0 IIABMN Cc1cc(Nc2cccc(F)c2)cc([C@H]2CCCN(CC(=O)NCc3ccccn3)C2)n1 ZINC000257233363 568680655 /nfs/dbraw/zinc/68/06/55/568680655.db2.gz GOYLFLJZCVCQJQ-IBGZPJMESA-N 0 1 433.531 4.164 40 0 IIABMN CCOc1cc2c(cc1CNc1cc(-c3cn[nH]c3[C@@H]3CCN(C(C)=O)C3)ccn1)CCC2 ZINC000257259718 568692917 /nfs/dbraw/zinc/69/29/17/568692917.db2.gz KZQOYTJBOYSRNM-OAQYLSRUSA-N 0 1 445.567 4.307 40 0 IIABMN CCn1cnc2cc(NC(=O)[C@@]3(C)CCCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)ccc21 ZINC000257280459 568702333 /nfs/dbraw/zinc/70/23/33/568702333.db2.gz OKYXWHRTZLLMSA-VWLOTQADSA-N 0 1 444.539 4.122 40 0 IIABMN Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)n1 ZINC000257288699 568706354 /nfs/dbraw/zinc/70/63/54/568706354.db2.gz PVFMRJCCVYMFFP-INIZCTEOSA-N 0 1 444.507 4.293 40 0 IIABMN CC[N@H+]1CCC[C@H]1CNC(=O)[C@]1(Cc2ccc(-c3cc(F)ccc3OC)cc2)CCCO1 ZINC000257329810 568724217 /nfs/dbraw/zinc/72/42/17/568724217.db2.gz XLPVYXJHZACUET-BKMJKUGQSA-N 0 1 440.559 4.194 40 0 IIABMN CC(C)(C)c1n[nH]cc1CN1CCO[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000257344926 568730878 /nfs/dbraw/zinc/73/08/78/568730878.db2.gz ZZGSJDYDQRZQKY-OAQYLSRUSA-N 0 1 443.979 4.279 40 0 IIABMN CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2CCc3cc(Br)ccc3C2)n1 ZINC000328990364 568808681 /nfs/dbraw/zinc/80/86/81/568808681.db2.gz IOHUDRFILKDFLI-SFHVURJKSA-N 0 1 433.394 4.354 40 0 IIABMN Brc1cccc(-c2nnc3sc(CNCc4ccc5c(c4)OCO5)cn32)c1 ZINC000017149882 569174858 /nfs/dbraw/zinc/17/48/58/569174858.db2.gz MKMASDWDZDPZCE-UHFFFAOYSA-N 0 1 443.326 4.239 40 0 IIABMN Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)C[C@@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000253599412 569209029 /nfs/dbraw/zinc/20/90/29/569209029.db2.gz PMNWPCUMKYGKHY-XLIONFOSSA-N 0 1 438.597 4.130 40 0 IIABMN Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)C[C@@H]3C=CCC3)[n-]c(=O)c2C1 ZINC000253599412 569209030 /nfs/dbraw/zinc/20/90/30/569209030.db2.gz PMNWPCUMKYGKHY-XLIONFOSSA-N 0 1 438.597 4.130 40 0 IIABMN N#Cc1ccc(-c2ccc(/C=C3\C(=O)NC(=S)N(c4cccc(Cl)c4)C3=O)o2)cc1 ZINC000015227137 569225382 /nfs/dbraw/zinc/22/53/82/569225382.db2.gz WGMCNNMWIALLNG-WOJGMQOQSA-N 0 1 433.876 4.303 40 0 IIABMN Cc1nc([C@]2(O)CCCN(Cc3ccccn3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704901 569233730 /nfs/dbraw/zinc/23/37/30/569233730.db2.gz CQQMLRFICJOFOY-DEOSSOPVSA-N 0 1 441.572 4.481 40 0 IIABMN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)Cc3nc4ccc(C)cc4[nH]3)c2)C1 ZINC000019712219 569235211 /nfs/dbraw/zinc/23/52/11/569235211.db2.gz GDRZRFDYOUMVDH-HUVFLSCGSA-N 0 1 448.567 4.433 40 0 IIABMN CN1CCN(c2ccccc2NC(=S)NC(=O)C=Cc2ccc(Cl)cc2Cl)CC1 ZINC000107636018 569250758 /nfs/dbraw/zinc/25/07/58/569250758.db2.gz UXFRKFCJIUOEGU-VQHVLOKHSA-N 0 1 449.407 4.272 40 0 IIABMN CNc1nc([C@@H]2CCCN(C)C2)nc2c1CN(C(=O)c1ccccc1-c1ccccc1)CC2 ZINC000019710321 569327563 /nfs/dbraw/zinc/32/75/63/569327563.db2.gz ZBPIVNUEJICDCU-HXUWFJFHSA-N 0 1 441.579 4.193 40 0 IIABMN CC(C)NC(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc3ccccc3c2)nn1C ZINC000008635485 291379554 /nfs/dbraw/zinc/37/95/54/291379554.db2.gz ZKLHUBSPZXXOCF-WWNPGLIZSA-N 0 1 431.584 4.126 40 0 biogenic,in-vitro IIABMN C[C@@H](CN(C)CC(=O)N1C[C@@H](c2ccc(F)cc2)[C@H](c2csnn2)C1)c1ccccc1 ZINC000012182790 524571652 /nfs/dbraw/zinc/57/16/52/524571652.db2.gz VJFPZLJEDCFEHX-BULFRSBZSA-N 0 1 438.572 4.122 40 0 IIABMN CN1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(-c4ccccc4)o3)cc2)CC1 ZINC000408573040 555922985 /nfs/dbraw/zinc/92/29/85/555922985.db2.gz LFVRQRTTXMBIJD-WYMLVPIESA-N 0 1 446.576 4.225 40 0 IIABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)cc1 ZINC000408637883 556015256 /nfs/dbraw/zinc/01/52/56/556015256.db2.gz NRSPHAGNOVOEQU-UHFFFAOYSA-N 0 1 435.431 4.180 40 0 IIABMN CCOC(=O)c1ccc(NC(=O)CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)cc1 ZINC000408637183 556020240 /nfs/dbraw/zinc/02/02/40/556020240.db2.gz GRJWSHNPPFYNRL-UHFFFAOYSA-N 0 1 446.916 4.041 40 0 IIABMN CC(C)OC(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3Cl)n[nH]2)c1 ZINC000009198343 556256482 /nfs/dbraw/zinc/25/64/82/556256482.db2.gz WGKIMTIDMYUFOQ-UHFFFAOYSA-N 0 1 430.917 4.421 40 0 IIABMN CCN1CCN([C@H](CNC(=O)c2cc(-c3ccccc3)on2)c2ccccc2Cl)CC1 ZINC000028296068 556451275 /nfs/dbraw/zinc/45/12/75/556451275.db2.gz ZVKZUHPVWMBKMJ-JOCHJYFZSA-N 0 1 438.959 4.104 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(C)cc2C)cc1 ZINC000015437430 556527474 /nfs/dbraw/zinc/52/74/74/556527474.db2.gz AARGQOIVUOYKHY-UHFFFAOYSA-N 0 1 440.521 4.130 40 0 IIABMN CC(C)C(=O)NC(=S)Nc1ccc2oc(-c3ccc(O)c(Br)c3)nc2c1 ZINC000032116518 556532162 /nfs/dbraw/zinc/53/21/62/556532162.db2.gz ZWFLMGIUYKRBKU-UHFFFAOYSA-N 0 1 434.315 4.432 40 0 IIABMN COC(=O)c1c(NC(=O)[C@@H]2CCCN(Cc3ccc(F)cc3)C2)sc2c1CCCC2 ZINC000038857938 556626133 /nfs/dbraw/zinc/62/61/33/556626133.db2.gz KQWBYMKYOSBUQZ-MRXNPFEDSA-N 0 1 430.545 4.403 40 0 IIABMN COc1ccc2c(c1)[C@@H](NC(=O)C1CCN(Cc3ccccc3F)CC1)CC(C)(C)O2 ZINC000044855539 556672016 /nfs/dbraw/zinc/67/20/16/556672016.db2.gz OACGTJNHTRAASD-QFIPXVFZSA-N 0 1 426.532 4.465 40 0 IIABMN COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)C1CCN(Cc2ccccc2F)CC1 ZINC000044855681 556672020 /nfs/dbraw/zinc/67/20/20/556672020.db2.gz OEGUJAUNBOJZNL-QFIPXVFZSA-N 0 1 426.532 4.465 40 0 IIABMN CC(=O)NC1(c2ccccc2F)CCN(Cc2ccccc2OC[C@@H]2CCCO2)CC1 ZINC000019021146 556693698 /nfs/dbraw/zinc/69/36/98/556693698.db2.gz FZKHZMGFNAYDHZ-NRFANRHFSA-N 0 1 426.532 4.011 40 0 IIABMN Cc1ccc([C@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCCC3)C4)C2)cc1 ZINC000019135722 556706242 /nfs/dbraw/zinc/70/62/42/556706242.db2.gz CIMBPVAKFYYFRJ-FPOVZHCZSA-N 0 1 448.611 4.301 40 0 IIABMN COc1cccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000013648402 556707412 /nfs/dbraw/zinc/70/74/12/556707412.db2.gz FSPQQKSLNXBBCG-FSSWDIPSSA-N 0 1 434.879 4.400 40 0 IIABMN Cc1ccc(-c2ccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4cc(C(C)C)[nH]n4)C3)cc2)cc1 ZINC000019212412 556709777 /nfs/dbraw/zinc/70/97/77/556709777.db2.gz MGHBLJPERWIZRP-MHZLTWQESA-N 0 1 444.579 4.459 40 0 IIABMN Cc1nc2ccc(CCC(=O)N3[C@H](Cc4ccccc4)C[C@]4(C)NC(=O)CCC[C@H]34)cc2[nH]1 ZINC000257256548 556711995 /nfs/dbraw/zinc/71/19/95/556711995.db2.gz KLYJUFVREOBGIH-QURRFSBHSA-N 0 1 444.579 4.075 40 0 IIABMN O=C(c1ccc(F)c(F)c1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCC1)C2 ZINC000019292801 556732045 /nfs/dbraw/zinc/73/20/45/556732045.db2.gz AWKSFCUWYRBYJJ-NRFANRHFSA-N 0 1 442.510 4.129 40 0 IIABMN O=C(NC1(CCc2ccc(NC(=O)C3CC3)nc2)CCCCC1)c1[nH]nc2c1CCCCC2 ZINC000019341891 556740411 /nfs/dbraw/zinc/74/04/11/556740411.db2.gz SAPSHAPXXLEBBC-UHFFFAOYSA-N 0 1 449.599 4.488 40 0 IIABMN Nc1cc([C@H]2CCCN(Cc3coc4ccccc4c3=O)C2)nc2cc(-c3ccco3)nn21 ZINC000019375882 556751875 /nfs/dbraw/zinc/75/18/75/556751875.db2.gz HXWLWEJIJYBJMY-INIZCTEOSA-N 0 1 441.491 4.058 40 0 IIABMN O=C(c1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019406404 556755191 /nfs/dbraw/zinc/75/51/91/556755191.db2.gz DIDSPULDSFFXPE-NRFANRHFSA-N 0 1 440.613 4.137 40 0 IIABMN O=C(c1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019406404 556755193 /nfs/dbraw/zinc/75/51/93/556755193.db2.gz DIDSPULDSFFXPE-NRFANRHFSA-N 0 1 440.613 4.137 40 0 IIABMN C[C@@H]1CCC[C@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)c2nccc3ccccc32)CC1 ZINC000019496072 556768767 /nfs/dbraw/zinc/76/87/67/556768767.db2.gz PZMOLIPGAWAHSF-HDICACEKSA-N 0 1 445.567 4.381 40 0 IIABMN Cc1ccc(C)c(NC(=O)CN2CCC(n3nnc4cc(C(F)(F)F)ccc43)CC2)c1 ZINC000001380587 556796615 /nfs/dbraw/zinc/79/66/15/556796615.db2.gz JAAYWRQAQYFSAJ-UHFFFAOYSA-N 0 1 431.462 4.343 40 0 IIABMN Cc1cc(-c2cnc(N)nc2)cc([C@@H]2CCCN2CC(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000019691017 556846941 /nfs/dbraw/zinc/84/69/41/556846941.db2.gz RLISQFONJMSCAH-DEOSSOPVSA-N 0 1 444.583 4.003 40 0 IIABMN COc1ccc(-c2cnc(N(C)C)nc2[C@H]2CCCCN2C(=O)c2cc(C(C)C)[nH]n2)cc1 ZINC000019694296 556849901 /nfs/dbraw/zinc/84/99/01/556849901.db2.gz BGJBRKBLOISPFL-JOCHJYFZSA-N 0 1 448.571 4.432 40 0 IIABMN O=C(c1cccnc1)N1CCC[C@@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000019703603 556861866 /nfs/dbraw/zinc/86/18/66/556861866.db2.gz NRMSHADXWPILPK-HXUWFJFHSA-N 0 1 430.430 4.422 40 0 IIABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@H](c4nc(C)c5c(n4)N(CC4CC4)CCC5)C3)c2c1 ZINC000019707011 556866057 /nfs/dbraw/zinc/86/60/57/556866057.db2.gz NJFREHVFSOBRDE-IBGZPJMESA-N 0 1 444.583 4.152 40 0 IIABMN CC(C)Nc1[nH]nc2nc(C3CCN(C(=O)Cc4ccccn4)CC3)cc(C(F)(F)F)c21 ZINC000019745114 556892064 /nfs/dbraw/zinc/89/20/64/556892064.db2.gz LIICRLJOMYGKSW-UHFFFAOYSA-N 0 1 446.477 4.141 40 0 IIABMN COC(=O)c1ccc(C)c(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)c1 ZINC000408923115 556892415 /nfs/dbraw/zinc/89/24/15/556892415.db2.gz AARBRAHOBAQGLY-UHFFFAOYSA-N 0 1 443.547 4.356 40 0 IIABMN O=C(CN1CC[C@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)Nc1ccccc1F ZINC000072371251 556937735 /nfs/dbraw/zinc/93/77/35/556937735.db2.gz MSWPETCBKGVDPW-INIZCTEOSA-N 0 1 442.922 4.252 40 0 IIABMN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)CCN(C)c3ccccc3F)C2)n1 ZINC000072375074 556950757 /nfs/dbraw/zinc/95/07/57/556950757.db2.gz RCCDETZJHHLRPI-IBGZPJMESA-N 0 1 448.546 4.295 40 0 IIABMN Cc1cnc(Nc2cccc([C@H]3CCCN3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)s1 ZINC000072375658 556952206 /nfs/dbraw/zinc/95/22/06/556952206.db2.gz KRNCKTUZQLKVNZ-GOSISDBHSA-N 0 1 434.569 4.118 40 0 IIABMN C=Cn1cc(CN2CCC[C@@](Cc3cc(-c4ccccc4)no3)(C(=O)OCC)C2)c(C)n1 ZINC000072394090 556965686 /nfs/dbraw/zinc/96/56/86/556965686.db2.gz YBXWKLFYZNDULE-VWLOTQADSA-N 0 1 434.540 4.335 40 0 IIABMN CC(C)OC(=O)c1ccccc1NC(=O)CSc1nc(-c2ccc(Cl)cc2)n[nH]1 ZINC000020763708 557127255 /nfs/dbraw/zinc/12/72/55/557127255.db2.gz GOOFFVPZIJGVND-UHFFFAOYSA-N 0 1 430.917 4.421 40 0 IIABMN COc1ccc(N2O[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@@H]3[C@@H]2c2ccccc2)cc1 ZINC000102700099 557132801 /nfs/dbraw/zinc/13/28/01/557132801.db2.gz AUDKUVXUPSRQDI-TZRRMPRUSA-N 0 1 428.488 4.363 40 0 IIABMN CCOc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)c(F)c1 ZINC000008810861 557173616 /nfs/dbraw/zinc/17/36/16/557173616.db2.gz ZNBZZFPZEYHPQT-UHFFFAOYSA-N 0 1 432.448 4.417 40 0 IIABMN COc1cccc(-c2ccc3cc(C(=O)N4CCCN(C)CC4)c(-c4cocn4)n3c2)c1 ZINC000096155543 557180051 /nfs/dbraw/zinc/18/00/51/557180051.db2.gz BMOILTLEGSYAIL-UHFFFAOYSA-N 0 1 430.508 4.048 40 0 IIABMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)c3ccc(Br)cc3)n2)c1 ZINC000014137146 557423067 /nfs/dbraw/zinc/42/30/67/557423067.db2.gz XEQRRYOJGAHXLG-UHFFFAOYSA-N 0 1 434.315 4.226 40 0 IIABMN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Br)c(Cl)c2)c1 ZINC000223841397 557519507 /nfs/dbraw/zinc/51/95/07/557519507.db2.gz RBPWVZBCXSVSQM-UHFFFAOYSA-N 0 1 439.114 4.343 40 0 IIABMN O=C(NCCOc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000223955678 557534082 /nfs/dbraw/zinc/53/40/82/557534082.db2.gz AGFLBTLCPJUUBW-UHFFFAOYSA-N 0 1 448.903 4.089 40 0 IIABMN COc1cc(CN2CCC(NC(=S)Nc3ccc(C)c(C)c3)CC2)cc(OC)c1OC ZINC000225227443 557702688 /nfs/dbraw/zinc/70/26/88/557702688.db2.gz QXKWROAEONFPAC-UHFFFAOYSA-N 0 1 443.613 4.280 40 0 IIABMN COc1ccc(-c2nnc(NC(=O)[C@H]3CCCN(Cc4ccc(F)cc4)C3)s2)cc1 ZINC000225728053 557769526 /nfs/dbraw/zinc/76/95/26/557769526.db2.gz YQMLGRHHVDRPRG-KRWDZBQOSA-N 0 1 426.517 4.204 40 0 IIABMN COc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3C(=O)Nc3ccc(C)cc3)n2)cc1 ZINC000015675997 560094668 /nfs/dbraw/zinc/09/46/68/560094668.db2.gz RLZDOHGIKHSOSO-FQEVSTJZSA-N 0 1 430.468 4.108 40 0 biogenic,in-vitro IIABMN O=C(CCc1n[nH]c2c1CCCC2)N1CCO[C@@H](c2cccc(-c3cccc(F)c3)n2)C1 ZINC000257288124 568705882 /nfs/dbraw/zinc/70/58/82/568705882.db2.gz PSYDWNZMZGSLSJ-XMMPIXPASA-N 0 1 434.515 4.022 40 0 IIABMN Clc1ccc(O[C@H]2COC3(C2)CCN(Cc2ccnc(N4CCCCC4)n2)CC3)cc1 ZINC000257294554 568708719 /nfs/dbraw/zinc/70/87/19/568708719.db2.gz QURFIIFXURXBBG-JOCHJYFZSA-N 0 1 442.991 4.323 40 0 IIABMN CNC(=O)c1sc2ccccc2c1C[C@@H]1CCCCN1Cc1ccnc(N2CCCC2)n1 ZINC000257314753 568717613 /nfs/dbraw/zinc/71/76/13/568717613.db2.gz UYHVVUQUZDMBIG-IBGZPJMESA-N 0 1 449.624 4.248 40 0 IIABMN Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc(Nc4ncccn4)cc(C)n3)CC2)cc1 ZINC000257315799 568717910 /nfs/dbraw/zinc/71/79/10/568717910.db2.gz VCUZWDQSJTVQRA-IBGZPJMESA-N 0 1 431.540 4.406 40 0 IIABMN CC(C)c1nc(N[C@@H](CO)C(C)C)cc(N2CCc3ccc(OC(F)(F)F)cc3C2)n1 ZINC000328984936 568808653 /nfs/dbraw/zinc/80/86/53/568808653.db2.gz HQWFGFKENZWZES-SFHVURJKSA-N 0 1 438.494 4.490 40 0 IIABMN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000247965068 569206669 /nfs/dbraw/zinc/20/66/69/569206669.db2.gz ZAQIDBMUUHVOHB-JFSTXAPLSA-N 0 1 438.616 4.363 40 0 IIABMN CCc1ccc(N2C(=O)/C(=C/c3ccc(O[C@@H](C)CC)c(OC)c3)C(=O)NC2=S)cc1 ZINC000010131182 569221615 /nfs/dbraw/zinc/22/16/15/569221615.db2.gz ZDMRCXOZTLCZNX-SJPXOZHESA-N 0 1 438.549 4.266 40 0 IIABMN Cc1ccc(C(C)(C)C(=O)N2CC[C@H](c3ccc4c(n[nH]c4NC4CCOCC4)n3)C2)cc1 ZINC000019705097 569233924 /nfs/dbraw/zinc/23/39/24/569233924.db2.gz PPIWSJIYBLNKGK-SFHVURJKSA-N 0 1 447.583 4.151 40 0 IIABMN COc1ccccc1CNC(=O)c1cnc(C2CCN(Cc3cccc(F)c3)CC2)nc1C ZINC000019766564 569239474 /nfs/dbraw/zinc/23/94/74/569239474.db2.gz LWFDBKIYRQOWHG-UHFFFAOYSA-N 0 1 448.542 4.242 40 0 IIABMN COc1ccc(-c2cc([C@H]3C[N@H+]4CC[C@H]3C[C@@H]4CNC(=O)Nc3ccccc3)n(C)n2)cc1 ZINC000008635388 291382949 /nfs/dbraw/zinc/38/29/49/291382949.db2.gz QDQASAAOOLBPRH-WPYKKVEZSA-N 0 1 445.567 4.095 40 0 biogenic,in-vitro IIABMN Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1C[N@H+]2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1 ZINC000008635470 291385364 /nfs/dbraw/zinc/38/53/64/291385364.db2.gz BRRWEYHHRDEBFM-WWNPGLIZSA-N 0 1 440.547 4.441 40 0 biogenic,in-vitro IIABMN Cn1nc(-c2ccc3ccccc3c2)cc1[C@H]1CN2CC[C@H]1C[C@@H]2CNC(=O)c1ccco1 ZINC000008635470 291385365 /nfs/dbraw/zinc/38/53/65/291385365.db2.gz BRRWEYHHRDEBFM-WWNPGLIZSA-N 0 1 440.547 4.441 40 0 biogenic,in-vitro IIABMN COc1cc(CCN2CCN(c3cc(Cl)cc(Cl)c3)CC2)cc(OC)c1OC ZINC000005335066 132275297 /nfs/dbraw/zinc/27/52/97/132275297.db2.gz VZXVEIQXHPWHTJ-UHFFFAOYSA-N 0 1 425.356 4.384 40 0 IIABMN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020460464 519847658 /nfs/dbraw/zinc/84/76/58/519847658.db2.gz UTRKHHXQZONIBL-KRWDZBQOSA-N 0 1 439.537 4.412 40 0 IIABMN COc1ccc(CN2Cc3ccccc3OC3(CCC(CO)CC3)C2)c(OC)c1OC ZINC000012126491 524043524 /nfs/dbraw/zinc/04/35/24/524043524.db2.gz GMQMKWHYVSBZEA-UHFFFAOYSA-N 0 1 427.541 4.028 40 0 IIABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1 ZINC000020451208 525615968 /nfs/dbraw/zinc/61/59/68/525615968.db2.gz BDJIJFZVXWSXKI-UHFFFAOYSA-N 0 1 449.532 4.175 40 0 IIABMN C[C@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020454580 525940194 /nfs/dbraw/zinc/94/01/94/525940194.db2.gz QLUGQFLNVNLUDZ-KRWDZBQOSA-N 0 1 447.516 4.442 40 0 IIABMN O=C(CN1CCC[C@@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1)N1CCCC1 ZINC000072348791 526751072 /nfs/dbraw/zinc/75/10/72/526751072.db2.gz AKPIQCWATLJANA-LJQANCHMSA-N 0 1 431.502 4.493 40 0 IIABMN Cn1cc(CN2CCC[C@H]2c2nc(-c3ccc(-n4ccnc4)nc3)no2)c2ccccc21 ZINC000035425794 527201510 /nfs/dbraw/zinc/20/15/10/527201510.db2.gz GLULTRKAVJWAAH-NRFANRHFSA-N 0 1 425.496 4.146 40 0 biogenic,in-vitro IIABMN COc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2ccccc2OC)c1 ZINC000001434084 555696603 /nfs/dbraw/zinc/69/66/03/555696603.db2.gz QEYGEODWUUXGJV-UHFFFAOYSA-N 0 1 426.494 4.065 40 0 IIABMN CCOc1ccc(CCCNC(=O)C2CCN(Cc3ccccc3F)CC2)cc1OC ZINC000039768678 556437331 /nfs/dbraw/zinc/43/73/31/556437331.db2.gz VEPPMWRRPFLHMJ-UHFFFAOYSA-N 0 1 428.548 4.194 40 0 IIABMN CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(OC)cc3)on2)N2CCCC2)cc1 ZINC000028296078 556451478 /nfs/dbraw/zinc/45/14/78/556451478.db2.gz DKNUZRLUIYRGRR-HSZRJFAPSA-N 0 1 435.524 4.316 40 0 IIABMN O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)[C@H]2C1 ZINC000013265839 556501428 /nfs/dbraw/zinc/50/14/28/556501428.db2.gz PXNZOYDODAWPJM-QUCCMNQESA-N 0 1 446.469 4.213 40 0 IIABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccc(F)cc1 ZINC000032116669 556532431 /nfs/dbraw/zinc/53/24/31/556532431.db2.gz FVJNLGPABIAJFZ-UHFFFAOYSA-N 0 1 448.111 4.183 40 0 IIABMN Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc2C)cc1 ZINC000013669124 556549752 /nfs/dbraw/zinc/54/97/52/556549752.db2.gz ASZUOBOADAKRMI-UHFFFAOYSA-N 0 1 443.613 4.100 40 0 IIABMN COc1ccc(F)cc1-c1cccc(CC2(C(=O)N[C@@H]3CCCN(C)C3)CCOCC2)c1 ZINC000257283237 556715244 /nfs/dbraw/zinc/71/52/44/556715244.db2.gz OXKNRCGXEMQTHQ-JOCHJYFZSA-N 0 1 440.559 4.051 40 0 IIABMN Fc1cccc(COc2ccccc2CN2CCOC[C@H](Cc3ccc4nccn4n3)C2)c1 ZINC000257292476 556716325 /nfs/dbraw/zinc/71/63/25/556716325.db2.gz QLQXRPTVYVKXFU-OAQYLSRUSA-N 0 1 446.526 4.139 40 0 IIABMN O=C(c1ccccc1F)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019347559 556743035 /nfs/dbraw/zinc/74/30/35/556743035.db2.gz OYBZBJUQHZMCAM-JOCHJYFZSA-N 0 1 438.547 4.380 40 0 IIABMN O=C(c1ccccc1F)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019347557 556743169 /nfs/dbraw/zinc/74/31/69/556743169.db2.gz OYBZBJUQHZMCAM-QFIPXVFZSA-N 0 1 438.547 4.380 40 0 IIABMN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(Cc2cnc(N(C)C)nc2)C1 ZINC000019522025 556778976 /nfs/dbraw/zinc/77/89/76/556778976.db2.gz GXLXWFYYHWIXAO-CQSZACIVSA-N 0 1 434.466 4.040 40 0 IIABMN CCOC(=O)c1cccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c1 ZINC000001358914 556785918 /nfs/dbraw/zinc/78/59/18/556785918.db2.gz HVFOVXROZDRQKL-UHFFFAOYSA-N 0 1 440.931 4.211 40 0 IIABMN COc1cc(NC(=O)c2cc(C3CCN(Cc4cccc(F)c4)CC3)no2)cc(OC)c1 ZINC000019595172 556830684 /nfs/dbraw/zinc/83/06/84/556830684.db2.gz MIAJWKLSJXMPIY-UHFFFAOYSA-N 0 1 439.487 4.463 40 0 IIABMN O=C(NC1CCCC1)[C@@H](c1ccc(F)cc1)N(Cc1ccc(F)cc1)C(=O)c1ccn[nH]1 ZINC000006445507 556833477 /nfs/dbraw/zinc/83/34/77/556833477.db2.gz DCJCSWSWGMNFNW-JOCHJYFZSA-N 0 1 438.478 4.130 40 0 IIABMN Cc1ccc2n[nH]c(C(=O)N3CCC(c4cc(-c5ccc(N)nc5)cc(C)n4)CC3)c2c1 ZINC000019692121 556848157 /nfs/dbraw/zinc/84/81/57/556848157.db2.gz LQLOQXNMLBWNGQ-UHFFFAOYSA-N 0 1 426.524 4.239 40 0 IIABMN Cc1cccc(C)c1OCC(=O)N1CCCC[C@H]1c1cc(C(F)(F)F)c2c(N)[nH]nc2n1 ZINC000019743501 556888151 /nfs/dbraw/zinc/88/81/51/556888151.db2.gz NJAWAHXGNAVFBR-INIZCTEOSA-N 0 1 447.461 4.308 40 0 IIABMN C=C1N=C(SCc2cc(OC)ccc2OC)N[C@H](c2ccccc2)C1C(=O)OCC ZINC000408988344 556910216 /nfs/dbraw/zinc/91/02/16/556910216.db2.gz HRLLERFZGDONON-OAQYLSRUSA-N 0 1 426.538 4.475 40 0 IIABMN COc1ccc(C)cc1CN1CCC(c2nnc([C@@H]3CCCCN3C(=O)C(C)C)o2)CC1 ZINC000072344929 556916056 /nfs/dbraw/zinc/91/60/56/556916056.db2.gz OSDYGTLMQAKSER-NRFANRHFSA-N 0 1 440.588 4.476 40 0 IIABMN CCc1cc(C(=O)N2CC[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)on1 ZINC000072371664 556940007 /nfs/dbraw/zinc/94/00/07/556940007.db2.gz JJIOQSMEBUTMFJ-CQSZACIVSA-N 0 1 448.445 4.230 40 0 IIABMN CC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)cc1 ZINC000019927893 556945777 /nfs/dbraw/zinc/94/57/77/556945777.db2.gz HRBUWJQRHNPRLN-UHFFFAOYSA-N 0 1 431.315 4.168 40 0 IIABMN COc1ccccc1-c1nnc(CSc2nc(-c3cc(Cl)ccc3OC)n[nH]2)o1 ZINC000019929210 556947437 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447.969 4.408 40 0 IIABMN O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12)c1ccccc1 ZINC000585110041 557042608 /nfs/dbraw/zinc/04/26/08/557042608.db2.gz ARCIQXTWSFRTPU-DNQXCXABSA-N 0 1 425.532 4.110 40 0 IIABMN CC(C)OC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000409352665 557079960 /nfs/dbraw/zinc/07/99/60/557079960.db2.gz YHJCGTFWFCHUOH-UHFFFAOYSA-N 0 1 430.917 4.421 40 0 IIABMN CCOc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102761037 557132431 /nfs/dbraw/zinc/13/24/31/557132431.db2.gz NGTLWSVKRQPSLZ-TZRRMPRUSA-N 0 1 428.488 4.445 40 0 IIABMN COc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000216290559 557142357 /nfs/dbraw/zinc/14/23/57/557142357.db2.gz HPHTYMDGOLYBEI-OAHLLOKOSA-N 0 1 443.550 4.010 40 0 IIABMN CN(Cc1ccccc1)[C@@H]1[C@@H](O)[C@H](Oc2cccc(Cl)c2)C[C@H]1NC(=O)OC(C)(C)C ZINC000585261666 557195373 /nfs/dbraw/zinc/19/53/73/557195373.db2.gz YQCOONUVOSPIAF-CZYKHXBRSA-N 0 1 446.975 4.246 40 0 IIABMN Cc1cc(C)cc(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)c1 ZINC000026781398 557248449 /nfs/dbraw/zinc/24/84/49/557248449.db2.gz TWCLIQFMULLUEI-AREMUKBSSA-N 0 1 430.592 4.450 40 0 IIABMN CC(C)c1ccc(OCC(=O)Nc2ccc(N3CCN(C)CC3)cc2)c(Br)c1 ZINC000111894425 557368702 /nfs/dbraw/zinc/36/87/02/557368702.db2.gz MKQXMQZGQAXWIB-UHFFFAOYSA-N 0 1 446.389 4.342 40 0 IIABMN Cc1cccc(NS(=O)(=O)c2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2Cl)c1 ZINC000014153871 557424498 /nfs/dbraw/zinc/42/44/98/557424498.db2.gz HNYSBMFTXCMZOW-UHFFFAOYSA-N 0 1 444.896 4.430 40 0 IIABMN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccccc2Sc2ccccc2)cc1 ZINC000223310288 557457681 /nfs/dbraw/zinc/45/76/81/557457681.db2.gz HFRHBYUVSWHXGG-UHFFFAOYSA-N 0 1 426.563 4.317 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2C)cc1 ZINC000102862111 557458396 /nfs/dbraw/zinc/45/83/96/557458396.db2.gz DDTYIZYWMBBEOU-TZRRMPRUSA-N 0 1 428.488 4.363 40 0 IIABMN COc1ccc(OC[C@@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c(C(C)(C)C)c1 ZINC000019901756 557510038 /nfs/dbraw/zinc/51/00/38/557510038.db2.gz SZKSFMSOBOVNGD-FQEVSTJZSA-N 0 1 432.992 4.208 40 0 IIABMN Cc1noc(C)c1S(=O)(=O)N1CCC(c2cc(Nc3cccc(C)n3)cc(C)n2)CC1 ZINC000257208629 568669191 /nfs/dbraw/zinc/66/91/91/568669191.db2.gz BMXFXPNYWRBCLT-UHFFFAOYSA-N 0 1 441.557 4.010 40 0 IIABMN COc1cc2c(cc1CN1CCC(c3cncc(Nc4cccc(C)n4)n3)CC1)OCCO2 ZINC000257247169 568687335 /nfs/dbraw/zinc/68/73/35/568687335.db2.gz IXTSFWOSXAWYPO-UHFFFAOYSA-N 0 1 447.539 4.083 40 0 IIABMN Cc1cc(N(C)C)nc([C@@]2(C)CCCN(Cc3ccccc3OCc3cccnc3)C2)n1 ZINC000257269776 568697361 /nfs/dbraw/zinc/69/73/61/568697361.db2.gz MRIMSSNMSVOZTL-SANMLTNESA-N 0 1 431.584 4.379 40 0 IIABMN Cc1cc(Nc2ncccn2)cc(C2CCN(C(=O)CCN(C)c3ccccc3F)CC2)n1 ZINC000257271022 568698256 /nfs/dbraw/zinc/69/82/56/568698256.db2.gz MWNGDJGNVOQQCY-UHFFFAOYSA-N 0 1 448.546 4.295 40 0 IIABMN Cc1ccc(N2C[C@]3(CC[N@@H+](Cc4ccccc4OCC[NH+]4CCCC4)C3)OC2=O)cc1 ZINC000257277777 568701069 /nfs/dbraw/zinc/70/10/69/568701069.db2.gz NZIAPIXHDVRQJY-AREMUKBSSA-N 0 1 435.568 4.071 40 0 IIABMN Cc1cc(Nc2nccs2)cc([C@@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)n1 ZINC000257287768 568705641 /nfs/dbraw/zinc/70/56/41/568705641.db2.gz PRKJFBNTRPWCNM-MRXNPFEDSA-N 0 1 440.573 4.435 40 0 IIABMN Cc1nc(NC(=O)CN2CCC(c3cc(Nc4ccccn4)cc(C)n3)CC2)sc1C ZINC000257295510 568709133 /nfs/dbraw/zinc/70/91/33/568709133.db2.gz QYPBJHLJOVPQKD-UHFFFAOYSA-N 0 1 436.585 4.420 40 0 IIABMN CCc1nnsc1C(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1 ZINC000257301029 568711574 /nfs/dbraw/zinc/71/15/74/568711574.db2.gz RWQAMRBSTAOYIZ-UHFFFAOYSA-N 0 1 426.521 4.101 40 0 IIABMN COc1cc2c(cc1CN1CCC(c3cccc(Nc4ccccn4)n3)CC1)OCCO2 ZINC000257308217 568714506 /nfs/dbraw/zinc/71/45/06/568714506.db2.gz TVWKIBQXMKQFFU-UHFFFAOYSA-N 0 1 432.524 4.380 40 0 IIABMN Cc1ccc(O[C@H](C)C(=O)N2CCC(c3cc(Nc4ncccn4)cc(C)n3)CC2)cc1 ZINC000257315800 568718102 /nfs/dbraw/zinc/71/81/02/568718102.db2.gz VCUZWDQSJTVQRA-LJQANCHMSA-N 0 1 431.540 4.406 40 0 IIABMN Cc1nc([C@H]2CCCN(Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccc(F)cc1 ZINC000257330564 568724660 /nfs/dbraw/zinc/72/46/60/568724660.db2.gz XOYGGPSZWBEYBW-IBGZPJMESA-N 0 1 433.531 4.188 40 0 IIABMN CC(C)n1cc(CN2CCC[C@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306128230 568765150 /nfs/dbraw/zinc/76/51/50/568765150.db2.gz GUUHEQFOZGZRLA-QFIPXVFZSA-N 0 1 429.572 4.498 40 0 IIABMN COc1ccc(F)cc1-c1ccc2nc([C@H]3CCCN(Cc4cccnc4OC)C3)nn2c1 ZINC000306134377 568768379 /nfs/dbraw/zinc/76/83/79/568768379.db2.gz NLJULFOSRDFPQO-SFHVURJKSA-N 0 1 447.514 4.327 40 0 IIABMN Cc1cccc(CN2CCC3(CC2)c2ccccc2N(Cc2ccccc2)S3(=O)=O)n1 ZINC000306141967 568772450 /nfs/dbraw/zinc/77/24/50/568772450.db2.gz WLKFGKIKPCCEJM-UHFFFAOYSA-N 0 1 433.577 4.231 40 0 IIABMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@@H]3c3cc(OC)ccc3OC)c2c1 ZINC000009421161 568794423 /nfs/dbraw/zinc/79/44/23/568794423.db2.gz DACQBANVUMRIRS-DEOSSOPVSA-N 0 1 446.507 4.013 40 0 IIABMN CN(C)c1nc(N2CCCCC2)ncc1NS(=O)(=O)c1ccc(-c2ccccc2)cc1 ZINC000224345298 568922846 /nfs/dbraw/zinc/92/28/46/568922846.db2.gz YVALSMFKHNRSAX-UHFFFAOYSA-N 0 1 437.569 4.001 40 0 IIABMN O=C([C@H]1[C@@H]2CCCC[C@@H]21)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000247965072 569206688 /nfs/dbraw/zinc/20/66/88/569206688.db2.gz ZAQIDBMUUHVOHB-VNHKHXMHSA-N 0 1 438.616 4.363 40 0 IIABMN COc1ccc(C[N@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@@H]3CCC[C@H]32)c(OC)c1 ZINC000248140434 569207394 /nfs/dbraw/zinc/20/73/94/569207394.db2.gz PMBSDMZFIWCRCJ-PWRODBHTSA-N 0 1 427.541 4.498 40 0 IIABMN CN(C)C(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019702624 569232229 /nfs/dbraw/zinc/23/22/29/569232229.db2.gz WKPLSTNKBIDUDK-QGZVFWFLSA-N 0 1 449.555 4.312 40 0 IIABMN Cc1nc2ccccn2c1CN1CCC(c2ncc(C(=O)Nc3ccccc3)c(C)n2)CC1 ZINC000019764252 569238376 /nfs/dbraw/zinc/23/83/76/569238376.db2.gz OFRYRBKGOVQRTC-UHFFFAOYSA-N 0 1 440.551 4.373 40 0 IIABMN CCOC(=O)c1ccc(NC(=O)c2ccc(CN3CCN(c4ccccc4)CC3)cc2)cc1 ZINC000020241756 569241136 /nfs/dbraw/zinc/24/11/36/569241136.db2.gz ADYPACGYPXAGSM-UHFFFAOYSA-N 0 1 443.547 4.438 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)C[C@@H](C)N2C(=O)c1ccccc1 ZINC000028207008 569242816 /nfs/dbraw/zinc/24/28/16/569242816.db2.gz PUHYMFADHDEIBB-QGZVFWFLSA-N 0 1 436.533 4.396 40 0 IIABMN C=CCOc1ccc(C=C2C(=O)NC(=O)N(Cc3ccco3)C2=O)cc1Br ZINC000034738416 569247481 /nfs/dbraw/zinc/24/74/81/569247481.db2.gz AHTNTKQSLOXETC-NTEUORMPSA-N 0 1 431.242 4.109 40 0 IIABMN CC(=O)c1ccc(NC(=O)OC[C@H]2C[C@@H]3CC[N@@H+]2C[C@@H]3c2cc(-c3ccco3)nn2C)cc1 ZINC000012602762 291378513 /nfs/dbraw/zinc/37/85/13/291378513.db2.gz HMMJBBYGNJQJTF-TYPHKJRUSA-N 0 1 448.523 4.309 40 0 biogenic,in-vitro IIABMN COc1ccc(CN2CCC(O)(Cn3cccc4cc(C(F)(F)F)nc3-4)CC2)c(OC)c1 ZINC000012158762 524024773 /nfs/dbraw/zinc/02/47/73/524024773.db2.gz BVBJTMDBDPSZGO-UHFFFAOYSA-N 0 1 449.473 4.051 40 0 IIABMN O=C(CCSCc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020483148 526540288 /nfs/dbraw/zinc/54/02/88/526540288.db2.gz IOVKSDZHSJLKPJ-UHFFFAOYSA-N 0 1 427.551 4.144 40 0 IIABMN OCCN1CCN(CCCN2c3ccsc3Sc3ccc(C(F)(F)F)cc32)CC1 ZINC000022463185 527552682 /nfs/dbraw/zinc/55/26/82/527552682.db2.gz HDPDWVAJUZMKRW-UHFFFAOYSA-N 0 1 443.560 4.370 40 0 in-man IIABMN COc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1NC(=O)c1ccc(C)cc1 ZINC000408556926 555894548 /nfs/dbraw/zinc/89/45/48/555894548.db2.gz FICVMGAFSLPBQN-UHFFFAOYSA-N 0 1 440.521 4.374 40 0 IIABMN CC(C)(C)c1ccc(C(=O)N2CC[NH+]([C@H](CCC(=O)[O-])c3ccc(F)cc3)CC2)cc1 ZINC000408608103 555978847 /nfs/dbraw/zinc/97/88/47/555978847.db2.gz MRRVWJKMCBNPNQ-JOCHJYFZSA-N 0 1 426.532 4.487 40 0 IIABMN Cc1cc(Cl)ccc1NC(=O)Cc1sc(NC(=O)c2ccccc2Cl)nc1[O-] ZINC000005721977 556063920 /nfs/dbraw/zinc/06/39/20/556063920.db2.gz PMYLZPSZWBJYKF-OAHLLOKOSA-N 0 1 436.320 4.058 40 0 IIABMN Cc1cc(Cl)ccc1NC(=O)Cc1sc(NC(=O)c2ccccc2Cl)nc1O ZINC000005721977 556063922 /nfs/dbraw/zinc/06/39/22/556063922.db2.gz PMYLZPSZWBJYKF-OAHLLOKOSA-N 0 1 436.320 4.058 40 0 IIABMN Cc1ccc(Cl)cc1N1CCN(C(=O)C2CCN(Cc3ccccc3F)CC2)CC1 ZINC000039772061 556437297 /nfs/dbraw/zinc/43/72/97/556437297.db2.gz CGLGKHQEPWZWBW-UHFFFAOYSA-N 0 1 429.967 4.348 40 0 IIABMN O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCCN(Cc3ccc4c(c3)OCO4)[C@H]2C1 ZINC000013265841 556501376 /nfs/dbraw/zinc/50/13/76/556501376.db2.gz AMBRLMROZHUPLJ-MJGOQNOKSA-N 0 1 432.442 4.171 40 0 IIABMN O=C(CSCc1cccc(Cl)c1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000030870522 556513436 /nfs/dbraw/zinc/51/34/36/556513436.db2.gz XVAQWEBRQJRRLA-UHFFFAOYSA-N 0 1 447.969 4.408 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1 ZINC000015437452 556527899 /nfs/dbraw/zinc/52/78/99/556527899.db2.gz SQAFFITVHDHWFM-OAHLLOKOSA-N 0 1 444.484 4.041 40 0 IIABMN CNC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)ccc2Oc2ccccc2)ccc1OC ZINC000013681497 556557044 /nfs/dbraw/zinc/55/70/44/556557044.db2.gz DBUQEJDTCINSNN-UHFFFAOYSA-N 0 1 446.912 4.301 40 0 IIABMN COc1ccc(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)cc1OC ZINC000019082030 556697096 /nfs/dbraw/zinc/69/70/96/556697096.db2.gz IMRZGYQQARKMGH-QHCPKHFHSA-N 0 1 425.573 4.214 40 0 IIABMN O=C1O[C@@]2(CCN(Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccccc1 ZINC000257297846 556716999 /nfs/dbraw/zinc/71/69/99/556716999.db2.gz RIZVGMJUOMQSTA-AREMUKBSSA-N 0 1 429.520 4.258 40 0 IIABMN COc1ccc2cc(S(=O)(=O)N3CCN(C45CC6CC(CC(C6)C4)C5)CC3)ccc2c1 ZINC000054362942 556730373 /nfs/dbraw/zinc/73/03/73/556730373.db2.gz XFDKTKJKXKPPDH-UHFFFAOYSA-N 0 1 440.609 4.124 40 0 IIABMN O=C(Cc1cccs1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019343222 556741166 /nfs/dbraw/zinc/74/11/66/556741166.db2.gz VKXYWTTWDUWZFC-OAQYLSRUSA-N 0 1 440.613 4.231 40 0 IIABMN CCOc1ccccc1C(=O)N1CCC(c2[nH]ncc2C(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000019520042 556775896 /nfs/dbraw/zinc/77/58/96/556775896.db2.gz BMKKWLXEIDYJHF-HDICACEKSA-N 0 1 438.572 4.231 40 0 IIABMN COc1ccc(CNC(=O)c2cc([C@@H]3CCCN(Cc4ccccc4OC)C3)no2)cc1 ZINC000019555845 556798997 /nfs/dbraw/zinc/79/89/97/556798997.db2.gz QHNNPTYTWBIEGQ-LJQANCHMSA-N 0 1 435.524 4.001 40 0 IIABMN COc1cc(CN2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)cc(OC)c1 ZINC000019595086 556830524 /nfs/dbraw/zinc/83/05/24/556830524.db2.gz ORRGGTGRVZAQFB-UHFFFAOYSA-N 0 1 449.473 4.099 40 0 IIABMN COCCc1ncc(CN2CCC(c3cc(Cc4cccc(OC)c4)cc(C)n3)CC2)cn1 ZINC000019691735 556847428 /nfs/dbraw/zinc/84/74/28/556847428.db2.gz HAUMBBQETGSGOP-UHFFFAOYSA-N 0 1 446.595 4.348 40 0 IIABMN COc1ccc(-c2cnc(N(C)C)nc2C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)cc1 ZINC000019695144 556851244 /nfs/dbraw/zinc/85/12/44/556851244.db2.gz IBBAFSSZZNTKBU-UHFFFAOYSA-N 0 1 448.571 4.085 40 0 IIABMN O=C(c1ccncc1)N1CCC[C@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000019703606 556861767 /nfs/dbraw/zinc/86/17/67/556861767.db2.gz NLHRXPNONWXWGF-FQEVSTJZSA-N 0 1 430.430 4.422 40 0 IIABMN O=C1OC(Cc2ccccc2)=N/C1=C/c1cc(Br)cc(Br)c1O ZINC000408838849 556868160 /nfs/dbraw/zinc/86/81/60/556868160.db2.gz JGBBUBIJPDRUKN-RIYZIHGNSA-N 0 1 437.087 4.456 40 0 IIABMN CCOCc1ccc(C(=O)N2CCC[C@@H](c3cc(C(F)(F)F)c4c(N)[nH]nc4n3)C2)cc1 ZINC000019742167 556885873 /nfs/dbraw/zinc/88/58/73/556885873.db2.gz CTSISQUVULCKJR-OAHLLOKOSA-N 0 1 447.461 4.115 40 0 IIABMN Cc1cc2nc(C3CCN(Cc4[nH]nnc4-c4ccccc4)CC3)cc(C(F)(F)F)n2n1 ZINC000072340797 556912564 /nfs/dbraw/zinc/91/25/64/556912564.db2.gz UUQNYSQAUQOUQB-UHFFFAOYSA-N 0 1 441.461 4.221 40 0 IIABMN O=C(CN1CCC[C@@H](c2nccnc2-c2cccc(C(F)(F)F)c2)C1)N1CCCCC1 ZINC000072358523 556931867 /nfs/dbraw/zinc/93/18/67/556931867.db2.gz LMZQBAFJJGIFJO-GOSISDBHSA-N 0 1 432.490 4.354 40 0 IIABMN CC(C)NC(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1CC(=O)N1CCC1 ZINC000072370697 556935924 /nfs/dbraw/zinc/93/59/24/556935924.db2.gz ILTKDQURJRSHKO-SFHVURJKSA-N 0 1 427.614 4.059 40 0 IIABMN O=C(COc1ccccc1)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371278 556938055 /nfs/dbraw/zinc/93/80/55/556938055.db2.gz RYSBIGOKSBOBQJ-QGZVFWFLSA-N 0 1 425.916 4.080 40 0 IIABMN Cc1cc(N2CC[C@@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)nc(C)n1 ZINC000072371422 556938718 /nfs/dbraw/zinc/93/87/18/556938718.db2.gz KNAFBIYWZNKHPF-MRXNPFEDSA-N 0 1 431.462 4.451 40 0 IIABMN Cc1cnc(NC(=O)CN2CCC[C@@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)s1 ZINC000072374877 556949449 /nfs/dbraw/zinc/94/94/49/556949449.db2.gz VWGPINLLYHBCSB-GOSISDBHSA-N 0 1 436.585 4.420 40 0 IIABMN Cc1cnc(NC(=O)CN2CCC[C@H](c3cc(Nc4ncccc4C)cc(C)n3)C2)s1 ZINC000072374878 556949451 /nfs/dbraw/zinc/94/94/51/556949451.db2.gz VWGPINLLYHBCSB-SFHVURJKSA-N 0 1 436.585 4.420 40 0 IIABMN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)CCOc3cccc(F)c3)C2)n1 ZINC000072375014 556950031 /nfs/dbraw/zinc/95/00/31/556950031.db2.gz ZROXHWVWKJNUHQ-SFHVURJKSA-N 0 1 435.503 4.238 40 0 IIABMN Cc1cc(Nc2ncccn2)cc([C@H]2CCCN(C(=O)c3ccc4c(c3)CCCN4C)C2)n1 ZINC000072375080 556950789 /nfs/dbraw/zinc/95/07/89/556950789.db2.gz VLXWESJCWCXKID-NRFANRHFSA-N 0 1 442.567 4.326 40 0 IIABMN COc1cccc(OC)c1CN1CCC[C@@H]([C@H](NC(=O)C(C)(C)C)c2ccccn2)C1 ZINC000072398576 556969959 /nfs/dbraw/zinc/96/99/59/556969959.db2.gz VJDMTAOEFWWAEZ-JPYJTQIMSA-N 0 1 425.573 4.214 40 0 IIABMN CC(C)N1Cc2c(-c3ccccc3)ncn2[C@]2(CCCN(C(=O)Cc3ccccc3)C2)C1 ZINC000585106540 557040316 /nfs/dbraw/zinc/04/03/16/557040316.db2.gz AGHZUOMYHJNPPY-MHZLTWQESA-N 0 1 428.580 4.335 40 0 IIABMN Cc1cc2nc3s/c(=C/c4cc(Br)cc(Cl)c4O)c(=O)n3c2cc1C ZINC000409394353 557098529 /nfs/dbraw/zinc/09/85/29/557098529.db2.gz ZHEPXHOESKIDJT-GIDUJCDVSA-N 0 1 435.730 4.195 40 0 IIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCc3ccccn3)ccc2Cl)c(C)c1 ZINC000409407845 557107328 /nfs/dbraw/zinc/10/73/28/557107328.db2.gz AIUUFZGVAQHZJC-UHFFFAOYSA-N 0 1 429.929 4.083 40 0 IIABMN CCOc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000102761291 557132359 /nfs/dbraw/zinc/13/23/59/557132359.db2.gz HQSPYXVGXOZEBV-XPWALMASSA-N 0 1 432.451 4.276 40 0 IIABMN O=C(Cc1ccsc1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000096319722 557199345 /nfs/dbraw/zinc/19/93/45/557199345.db2.gz RPGBCZRZMBQLPM-NRFANRHFSA-N 0 1 440.613 4.231 40 0 IIABMN Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCCC[NH+]3CCCCCC3)c2C)cc1 ZINC000010111291 557204148 /nfs/dbraw/zinc/20/41/48/557204148.db2.gz FLWHPALZTFTQEJ-UHFFFAOYSA-N 0 1 443.613 4.100 40 0 IIABMN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2C)cc1C ZINC000010112038 557204457 /nfs/dbraw/zinc/20/44/57/557204457.db2.gz IGTVABSQGFROSN-UHFFFAOYSA-N 0 1 443.613 4.018 40 0 IIABMN Cc1ccc(OC[C@H](O)CN2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1C ZINC000026781402 557248523 /nfs/dbraw/zinc/24/85/23/557248523.db2.gz QUVORWIOPONFPL-AREMUKBSSA-N 0 1 430.592 4.450 40 0 IIABMN COc1ccccc1CNC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cccc(C)c2)c1 ZINC000014154796 557426493 /nfs/dbraw/zinc/42/64/93/557426493.db2.gz DIWCMLDMFZWONL-UHFFFAOYSA-N 0 1 444.940 4.388 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000102735629 557458159 /nfs/dbraw/zinc/45/81/59/557458159.db2.gz PUCZXUVHKHVZFL-TZRRMPRUSA-N 0 1 444.487 4.063 40 0 IIABMN Cc1ccc(C(=O)Nc2nnc(S(=O)(=O)Nc3cccc(Cl)c3Cl)s2)cc1 ZINC000223351940 557461393 /nfs/dbraw/zinc/46/13/93/557461393.db2.gz DHLQQDQZZGTIHU-UHFFFAOYSA-N 0 1 443.337 4.206 40 0 IIABMN O=C(NCCc1ccc(F)cc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 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ZINC000019704976 569233840 /nfs/dbraw/zinc/23/38/40/569233840.db2.gz YIWQXPRFAZGJTM-LJQANCHMSA-N 0 1 433.556 4.475 40 0 IIABMN CCOC(=O)c1c2c(sc1NC(=O)CSc1nc3ccc(OC)cc3[nH]1)CCCC2 ZINC000032692431 569243572 /nfs/dbraw/zinc/24/35/72/569243572.db2.gz OJPPBMWJVXMVPP-UHFFFAOYSA-N 0 1 445.566 4.419 40 0 IIABMN Cc1cc(C)cc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(=O)C(C)(C)C)c1 ZINC000009087203 569293668 /nfs/dbraw/zinc/29/36/68/569293668.db2.gz XXAKPPYKBYUAGJ-ODAXIHTASA-N 0 1 428.532 4.434 40 0 IIABMN CCN1C(=O)c2cccc3cc(S(=O)(=O)Nc4cccc5ccccc54)cc(c32)C1=O ZINC000035685830 521537989 /nfs/dbraw/zinc/53/79/89/521537989.db2.gz JDUWTLALYYNMFJ-UHFFFAOYSA-N 0 1 430.485 4.410 40 0 IIABMN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000020492902 525667133 /nfs/dbraw/zinc/66/71/33/525667133.db2.gz JEHNHBAKFQHOBG-INIZCTEOSA-N 0 1 427.551 4.310 40 0 IIABMN CC1=NC(=S)N[C@H](c2ccc(-c3ccc(Br)cc3)o2)C1C(=O)OC(C)C ZINC000408602502 555971762 /nfs/dbraw/zinc/97/17/62/555971762.db2.gz BXVNACGQUFXDJF-QGZVFWFLSA-N 0 1 435.343 4.454 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(O[C@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408613865 555984407 /nfs/dbraw/zinc/98/44/07/555984407.db2.gz WQFRCTJGWXQEMW-QGZVFWFLSA-N 0 1 446.569 4.021 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccc(C)cc2)cc1 ZINC000015437371 556527585 /nfs/dbraw/zinc/52/75/85/556527585.db2.gz CIPOKBWURDUDPO-QGZVFWFLSA-N 0 1 440.521 4.210 40 0 IIABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1cccs1 ZINC000032116726 556532792 /nfs/dbraw/zinc/53/27/92/556532792.db2.gz VTYXTGVGSVENDF-UHFFFAOYSA-N 0 1 436.150 4.106 40 0 IIABMN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000044843878 556669174 /nfs/dbraw/zinc/66/91/74/556669174.db2.gz SSSMSLLYQDVWBH-MRXNPFEDSA-N 0 1 442.566 4.014 40 0 IIABMN C[C@H](SCc1ccccc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000044884826 556675064 /nfs/dbraw/zinc/67/50/64/556675064.db2.gz ZQFLAQYDRWBUPO-INIZCTEOSA-N 0 1 427.551 4.143 40 0 IIABMN Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)cc1 ZINC000019209728 556708457 /nfs/dbraw/zinc/70/84/57/556708457.db2.gz BLGZPYWRXFKMHY-QHCPKHFHSA-N 0 1 434.584 4.088 40 0 IIABMN C[C@H]1CCC[C@H](C)N1C(=O)c1cn[nH]c1C1CCN(C(=O)c2nccc3ccccc32)CC1 ZINC000019496073 556768717 /nfs/dbraw/zinc/76/87/17/556768717.db2.gz PZMOLIPGAWAHSF-ROUUACIJSA-N 0 1 445.567 4.381 40 0 IIABMN CCNC(=O)[C@]1(Cc2ccccc2-c2ccccc2)CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000019528979 556789903 /nfs/dbraw/zinc/78/99/03/556789903.db2.gz ZGOFZOISDLYKTL-MHZLTWQESA-N 0 1 444.579 4.411 40 0 IIABMN COc1ccc(CN2CCCC[C@@H]2c2nc(N(C)C)ncc2-c2ccncc2)c(OC)c1 ZINC000019585274 556822366 /nfs/dbraw/zinc/82/23/66/556822366.db2.gz NNRVHBNJNJJERR-JOCHJYFZSA-N 0 1 433.556 4.349 40 0 IIABMN Cc1nc2sccn2c1CN1CCC(c2nc(-c3ccccc3)c(C(=O)N(C)C)[nH]2)CC1 ZINC000019696984 556854066 /nfs/dbraw/zinc/85/40/66/556854066.db2.gz GLJYWMZLMLWLRF-UHFFFAOYSA-N 0 1 448.596 4.176 40 0 IIABMN CN(C)c1ncccc1CN1CCC([C@@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698460 556856732 /nfs/dbraw/zinc/85/67/32/556856732.db2.gz XHDXSGOLVABTLT-DEOSSOPVSA-N 0 1 436.575 4.104 40 0 IIABMN O=C(c1ccccn1)N1CCC[C@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000019703608 556861800 /nfs/dbraw/zinc/86/18/00/556861800.db2.gz ZWPVTKKXZIIEDR-FQEVSTJZSA-N 0 1 430.430 4.422 40 0 IIABMN Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CCN(Cc5ccncc5)CC4)nc32)cc1 ZINC000019703725 556862186 /nfs/dbraw/zinc/86/21/86/556862186.db2.gz ZHOCBNYUPYJHEK-UHFFFAOYSA-N 0 1 441.579 4.347 40 0 IIABMN CCN(CC)c1ncc(CN2CCC(c3ccc(C(=O)N4CCCCC4)cn3)CC2)s1 ZINC000019708290 556868761 /nfs/dbraw/zinc/86/87/61/556868761.db2.gz HHROTBJMZBUMMA-UHFFFAOYSA-N 0 1 441.645 4.390 40 0 IIABMN CC(C)Nc1[nH]nc2nc([C@H]3CCCN(C(=O)Cc4ccccn4)C3)cc(C(F)(F)F)c21 ZINC000019742192 556885943 /nfs/dbraw/zinc/88/59/43/556885943.db2.gz RBOPGEFGHSQREH-AWEZNQCLSA-N 0 1 446.477 4.141 40 0 IIABMN CCOc1ccc(CN2CCC[C@@H]2c2ccc3c(C)nn(-c4ccccn4)c3n2)cc1CO ZINC000019742452 556886422 /nfs/dbraw/zinc/88/64/22/556886422.db2.gz VLTBZXKBXCRPNK-HSZRJFAPSA-N 0 1 443.551 4.352 40 0 IIABMN Nc1[nH]nc2nc(C3CCN(C(=O)CCCc4ccc(F)cc4)CC3)cc(C(F)(F)F)c12 ZINC000019744676 556891271 /nfs/dbraw/zinc/89/12/71/556891271.db2.gz HPORILNEGPXBDW-UHFFFAOYSA-N 0 1 449.452 4.427 40 0 IIABMN CCN1CCN(c2cc(NC(=O)c3cccc(Br)c3)c(Cl)cc2N)CC1 ZINC000072229292 556901350 /nfs/dbraw/zinc/90/13/50/556901350.db2.gz WCZUXFCROOCZPR-UHFFFAOYSA-N 0 1 437.769 4.079 40 0 IIABMN COc1cccc(CN2CCC[C@@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1OC ZINC000072351302 556921109 /nfs/dbraw/zinc/92/11/09/556921109.db2.gz CJXZNTDKDJYEJG-QGZVFWFLSA-N 0 1 427.545 4.134 40 0 IIABMN O=C(c1ccc2ncccc2c1)N1CC[C@@H](c2cc(CCOc3ccc(F)c(F)c3)[nH]n2)C1 ZINC000072371452 556938742 /nfs/dbraw/zinc/93/87/42/556938742.db2.gz IPBJWEZDXZTRCB-GOSISDBHSA-N 0 1 448.473 4.487 40 0 IIABMN Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)o1 ZINC000072371541 556939446 /nfs/dbraw/zinc/93/94/46/556939446.db2.gz RSNJSEAACWHHTC-HNNXBMFYSA-N 0 1 448.445 4.285 40 0 IIABMN 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ZINC000072391263 556961862 /nfs/dbraw/zinc/96/18/62/556961862.db2.gz CGVGQKGCUFNQJW-MHZLTWQESA-N 0 1 444.579 4.411 40 0 IIABMN CN(C)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)CC2c3ccccc3Oc3ccccc32)C1 ZINC000585165381 557126801 /nfs/dbraw/zinc/12/68/01/557126801.db2.gz STWGFGHTNKJYEJ-KRWDZBQOSA-N 0 1 444.535 4.145 40 0 IIABMN CCCN1CCN(Cc2cccc(O)c2)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000585183595 557139360 /nfs/dbraw/zinc/13/93/60/557139360.db2.gz IJASDSFQRUEPHW-DEOSSOPVSA-N 0 1 429.564 4.367 40 0 IIABMN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nc(-c2ccc(OC)cc2)n[nH]1 ZINC000023566026 557315895 /nfs/dbraw/zinc/31/58/95/557315895.db2.gz PIQUNVAXCVNEDO-UHFFFAOYSA-N 0 1 446.554 4.066 40 0 IIABMN COc1c(F)c(F)c(C(=O)NC(=S)Nc2cc(Cl)cc(Cl)c2O)c(F)c1F ZINC000014270361 557429674 /nfs/dbraw/zinc/42/96/74/557429674.db2.gz VYIVQCIARJBVJM-UHFFFAOYSA-N 0 1 443.205 4.391 40 0 IIABMN Cc1ccccc1C(=O)Nc1nnc(S(=O)(=O)Nc2cccc(Cl)c2Cl)s1 ZINC000223350656 557461410 /nfs/dbraw/zinc/46/14/10/557461410.db2.gz NQTJRIJKEAHANG-UHFFFAOYSA-N 0 1 443.337 4.206 40 0 IIABMN COc1ccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCC3)cc2)c(Cl)c1Cl ZINC000223639273 557495268 /nfs/dbraw/zinc/49/52/68/557495268.db2.gz ZDQANQPXDFJGAR-UHFFFAOYSA-N 0 1 443.352 4.429 40 0 IIABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nnc(SC(C)C)s2)cc1 ZINC000225184068 557697186 /nfs/dbraw/zinc/69/71/86/557697186.db2.gz BRMOEDVEODJDNY-UHFFFAOYSA-N 0 1 448.595 4.400 40 0 IIABMN COc1ccc(-c2nnc(NC(=O)C3CCN(Cc4ccccc4F)CC3)s2)cc1 ZINC000225782337 557777443 /nfs/dbraw/zinc/77/74/43/557777443.db2.gz BQZQNCAVPCUKDB-UHFFFAOYSA-N 0 1 426.517 4.204 40 0 IIABMN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@H](C)N3CCCCC3)CC2)on1 ZINC000257250042 568615706 /nfs/dbraw/zinc/61/57/06/568615706.db2.gz JKSWEGKGHUOSFD-IHPCNDPISA-N 0 1 425.577 4.013 40 0 IIABMN Cc1cccc(CN2CCC[C@H](c3nc(C)c(CC(=O)Nc4ccc(F)cc4)c(C)n3)C2)n1 ZINC000257232767 568680419 /nfs/dbraw/zinc/68/04/19/568680419.db2.gz GMIIXQUNZUJYMY-FQEVSTJZSA-N 0 1 447.558 4.497 40 0 IIABMN CCN(CC)C(=O)Cc1c(C)nc([C@H]2CC[N@@H+](Cc3ccc(OC)c(C)c3C)C2)nc1C ZINC000257236843 568682269 /nfs/dbraw/zinc/68/22/69/568682269.db2.gz HDZZKYINPLIVCK-QFIPXVFZSA-N 0 1 438.616 4.119 40 0 IIABMN CCn1cnc2cc(NC(=O)[C@]3(C)CCCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)ccc21 ZINC000257280458 568702403 /nfs/dbraw/zinc/70/24/03/568702403.db2.gz OKYXWHRTZLLMSA-RUZDIDTESA-N 0 1 444.539 4.122 40 0 IIABMN CC1(C)Oc2ccccc2[C@H]2OCC3(CCN(C(=O)c4ccc5[nH]nnc5c4)CC3)C[C@@H]21 ZINC000257318653 568719376 /nfs/dbraw/zinc/71/93/76/568719376.db2.gz VOWYIUCDOGWXGM-PGRDOPGGSA-N 0 1 432.524 4.129 40 0 IIABMN Cc1cc(Nc2cnccn2)cc(C2CCN(C(=O)[C@@H]3Cc4cc(Cl)ccc4O3)CC2)n1 ZINC000257334039 568725938 /nfs/dbraw/zinc/72/59/38/568725938.db2.gz YEGNNZNXABLHBT-QFIPXVFZSA-N 0 1 449.942 4.287 40 0 IIABMN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@H]1CCCN(C(=O)CCc2ccccc2F)C1 ZINC000257335093 568726548 /nfs/dbraw/zinc/72/65/48/568726548.db2.gz YIQODSMKGKQBRF-NRFANRHFSA-N 0 1 448.542 4.160 40 0 IIABMN Cc1cccc(C)c1OC[C@@H](O)CN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000095863090 568792009 /nfs/dbraw/zinc/79/20/09/568792009.db2.gz BTGUKMUBVDODEV-SANMLTNESA-N 0 1 430.592 4.450 40 0 IIABMN COc1cccc(OC)c1CN1CCC[C@@H]([C@@H](NC(=O)C2CCCC2)c2nccs2)C1 ZINC000019567055 569227108 /nfs/dbraw/zinc/22/71/08/569227108.db2.gz JWXNIWDAPSUJCI-XMSQKQJNSA-N 0 1 443.613 4.420 40 0 IIABMN Cc1nc([C@H]2CCN(Cc3cccnc3)C2)nc2c1CCC(=O)N2CCCc1ccccc1 ZINC000019695793 569229614 /nfs/dbraw/zinc/22/96/14/569229614.db2.gz REUSHXAFZGKNIZ-QHCPKHFHSA-N 0 1 441.579 4.082 40 0 IIABMN CN(C)C(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000019702626 569232316 /nfs/dbraw/zinc/23/23/16/569232316.db2.gz WKPLSTNKBIDUDK-KRWDZBQOSA-N 0 1 449.555 4.312 40 0 IIABMN CCOC(=O)C1=C(C)NC(SC)=N[C@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000034879688 569247979 /nfs/dbraw/zinc/24/79/79/569247979.db2.gz WMIFADWGQDLGDB-NRFANRHFSA-N 0 1 426.538 4.475 40 0 IIABMN C=C1N=C(SC)N[C@@H](c2ccc(OCc3ccccc3)c(OC)c2)C1C(=O)OCC ZINC000034879688 569247981 /nfs/dbraw/zinc/24/79/81/569247981.db2.gz WMIFADWGQDLGDB-NRFANRHFSA-N 0 1 426.538 4.475 40 0 IIABMN COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(Cl)cc(Cl)c3O)C2=O)o1 ZINC000107809198 569251364 /nfs/dbraw/zinc/25/13/64/569251364.db2.gz UWJHVKCUPNGYJR-WLRTZDKTSA-N 0 1 428.249 4.315 40 0 IIABMN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000018043939 569284291 /nfs/dbraw/zinc/28/42/91/569284291.db2.gz NCHDXFHHGQEGQN-HJOGWXRNSA-N 0 1 444.487 4.063 40 0 IIABMN Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@H]2c4ccccc4C=CN2[C@@H]3C(=O)C(C)(C)C)cc1C ZINC000009348431 569295696 /nfs/dbraw/zinc/29/56/96/569295696.db2.gz FYLCRYPUYAAHSU-ODAXIHTASA-N 0 1 428.532 4.434 40 0 IIABMN O=C1CCCC[C@@H]2[C@H](CCN2Cc2cncn2Cc2ccccc2)N1Cc1ccccc1 ZINC000019713828 569327831 /nfs/dbraw/zinc/32/78/31/569327831.db2.gz DCMYUTNTKWRABQ-FTJBHMTQSA-N 0 1 428.580 4.477 40 0 IIABMN COc1ccccc1-c1cc([C@H]2C[N@H+]3CC[C@H]2C[C@@H]3CNC(=O)Nc2ccccc2)n(C)n1 ZINC000012602014 291384024 /nfs/dbraw/zinc/38/40/24/291384024.db2.gz HGAGVZOIUSUTDT-DWLFOUALSA-N 0 1 445.567 4.095 40 0 biogenic,in-vitro IIABMN CC[C@H](Oc1cc(C)ccc1C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000020494726 522869676 /nfs/dbraw/zinc/86/96/76/522869676.db2.gz KJGZGFOKBFQJSZ-FQEVSTJZSA-N 0 1 439.537 4.295 40 0 IIABMN Cc1cc(C(F)(F)F)n2nc([C@@H]3CCN(C(=O)c4cc(-c5ccccc5)[nH]n4)C3)cc2n1 ZINC000019117034 524203848 /nfs/dbraw/zinc/20/38/48/524203848.db2.gz LYHFYNVLQBACDQ-OAHLLOKOSA-N 0 1 440.429 4.076 40 0 IIABMN CCOC(=O)C1=C(C)NC(SC)=N[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1 ZINC000034879686 555513122 /nfs/dbraw/zinc/51/31/22/555513122.db2.gz WMIFADWGQDLGDB-OAQYLSRUSA-N 0 1 426.538 4.475 40 0 IIABMN C=C1N=C(SC)N[C@H](c2ccc(OCc3ccccc3)c(OC)c2)C1C(=O)OCC ZINC000034879686 555513129 /nfs/dbraw/zinc/51/31/29/555513129.db2.gz WMIFADWGQDLGDB-OAQYLSRUSA-N 0 1 426.538 4.475 40 0 IIABMN O=C(c1cccc(C(F)(F)F)c1)N1C[C@H]2CCCN(Cc3ccc4nccnc4c3)[C@H]2C1 ZINC000013265842 556501398 /nfs/dbraw/zinc/50/13/98/556501398.db2.gz VYCJVIOSAYZHNC-GCJKJVERSA-N 0 1 440.469 4.385 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CSc2ccccc2)cc1 ZINC000015437365 556527545 /nfs/dbraw/zinc/52/75/45/556527545.db2.gz WRTLBAKUZFHECE-UHFFFAOYSA-N 0 1 428.535 4.227 40 0 IIABMN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000044880721 556674147 /nfs/dbraw/zinc/67/41/47/556674147.db2.gz XNAKYNDEJJWNNV-GOSISDBHSA-N 0 1 445.928 4.332 40 0 IIABMN Cc1ccc([C@@H](C)C(=O)N2CC[C@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCCC3)C4)C2)cc1 ZINC000019135718 556706150 /nfs/dbraw/zinc/70/61/50/556706150.db2.gz CIMBPVAKFYYFRJ-CTNGQTDRSA-N 0 1 448.611 4.301 40 0 IIABMN Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCC2)C3)cc1 ZINC000019209726 556708502 /nfs/dbraw/zinc/70/85/02/556708502.db2.gz BLGZPYWRXFKMHY-HSZRJFAPSA-N 0 1 434.584 4.088 40 0 IIABMN O=C(c1ccccc1)N1CCO[C@@H](c2cc(CCOc3ccc(C(F)(F)F)cc3)[nH]n2)C1 ZINC000257344846 556718815 /nfs/dbraw/zinc/71/88/15/556718815.db2.gz ZYWCVPBIGMCWFA-OAQYLSRUSA-N 0 1 445.441 4.264 40 0 IIABMN Cc1ccccc1CC(=O)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019237084 556721889 /nfs/dbraw/zinc/72/18/89/556721889.db2.gz PTJOSJDZVBFFQI-XMMPIXPASA-N 0 1 448.611 4.478 40 0 IIABMN O=C(CC1CCCC1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 ZINC000019343578 556741449 /nfs/dbraw/zinc/74/14/49/556741449.db2.gz DIEPDINKCLUDTF-OAQYLSRUSA-N 0 1 440.613 4.024 40 0 IIABMN CCCN1CCN(Cc2cccc(C)n2)C[C@@H](Cc2ccc(-c3ccncc3)cc2)C1=O ZINC000019502936 556774180 /nfs/dbraw/zinc/77/41/80/556774180.db2.gz KLANHJJNTBESTA-RUZDIDTESA-N 0 1 428.580 4.365 40 0 IIABMN CCCN1CCN(Cc2cccc(C)n2)C[C@@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019503342 556775075 /nfs/dbraw/zinc/77/50/75/556775075.db2.gz DLXOOVCHRAONAN-XMMPIXPASA-N 0 1 428.580 4.365 40 0 IIABMN COc1ccc(CN2CCC([C@H](NC(=O)C3CCCC3)c3ccccn3)CC2)cc1OC ZINC000019560860 556802295 /nfs/dbraw/zinc/80/22/95/556802295.db2.gz VQQOVWXXNUGCLW-VWLOTQADSA-N 0 1 437.584 4.359 40 0 IIABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H](c4nc(N(C)C)ncc4-c4ccccc4)C3)c2c1 ZINC000019687605 556842179 /nfs/dbraw/zinc/84/21/79/556842179.db2.gz GPRJBJVYCSTOET-LJQANCHMSA-N 0 1 440.551 4.414 40 0 IIABMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC(c2ccc(-c3cncnc3)cn2)CC1 ZINC000019687991 556842447 /nfs/dbraw/zinc/84/24/47/556842447.db2.gz BHVVCAJCMWBMGI-UHFFFAOYSA-N 0 1 429.568 4.155 40 0 IIABMN CNC(=O)c1ccc(-c2cc(C)nc([C@@H]3CCCN3Cc3c[nH]nc3C(C)(C)C)c2)cn1 ZINC000019690844 556846553 /nfs/dbraw/zinc/84/65/53/556846553.db2.gz INRXHOKOYAWQKG-QFIPXVFZSA-N 0 1 432.572 4.169 40 0 IIABMN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1 ZINC000019693937 556848672 /nfs/dbraw/zinc/84/86/72/556848672.db2.gz HBTXQQIJECDUDT-SFHVURJKSA-N 0 1 448.571 4.085 40 0 IIABMN CC(C)Nc1[nH]nc2nc([C@H]3CCCN3C(=O)Cc3ccccn3)cc(C(F)(F)F)c21 ZINC000019742563 556886899 /nfs/dbraw/zinc/88/68/99/556886899.db2.gz NDQBDPYJXINRDL-MRXNPFEDSA-N 0 1 432.450 4.098 40 0 IIABMN Nc1[nH]nc2nc(C3CCN(C(=O)c4cccc5cccnc54)CC3)cc(C(F)(F)F)c12 ZINC000019745083 556891834 /nfs/dbraw/zinc/89/18/34/556891834.db2.gz RUCSIHKQPWCLON-UHFFFAOYSA-N 0 1 440.429 4.127 40 0 IIABMN C=C1N=C(SCc2cc(OC)ccc2OC)N[C@@H](c2ccccc2)C1C(=O)OCC ZINC000408988340 556910188 /nfs/dbraw/zinc/91/01/88/556910188.db2.gz HRLLERFZGDONON-NRFANRHFSA-N 0 1 426.538 4.475 40 0 IIABMN O=C(CN1CCC[C@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCCC1 ZINC000072359371 556932534 /nfs/dbraw/zinc/93/25/34/556932534.db2.gz DEIAHEQWDJCRDB-SFHVURJKSA-N 0 1 432.490 4.354 40 0 IIABMN COc1cc2c(cc1CN1CCC(c3ccc(Nc4ccccn4)cn3)CC1)OCCO2 ZINC000072374325 556947719 /nfs/dbraw/zinc/94/77/19/556947719.db2.gz SAXJOAWWBHPURN-UHFFFAOYSA-N 0 1 432.524 4.380 40 0 IIABMN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)c4ccccc4)C3)c2)n1 ZINC000072374885 556949463 /nfs/dbraw/zinc/94/94/63/556949463.db2.gz GPCXXFFYDIYQRY-LJQANCHMSA-N 0 1 437.569 4.109 40 0 IIABMN COc1cc2c(cc1CN1CCC[C@@H](c3cccc(Nc4ccccn4)n3)C1)OCCO2 ZINC000072376102 556953881 /nfs/dbraw/zinc/95/38/81/556953881.db2.gz YBPWXPCQXPFSBP-GOSISDBHSA-N 0 1 432.524 4.380 40 0 IIABMN O=C(c1cccnc1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072380144 556957538 /nfs/dbraw/zinc/95/75/38/556957538.db2.gz PEBSKRABFWJTRW-MRXNPFEDSA-N 0 1 430.430 4.075 40 0 IIABMN Cc1nc(C2CCN(Cc3cccnc3)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072380067 556957554 /nfs/dbraw/zinc/95/75/54/556957554.db2.gz RFZAWCYBOYQFMB-UHFFFAOYSA-N 0 1 441.579 4.082 40 0 IIABMN CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(Cc2cncn2CC)C1 ZINC000072394075 556965583 /nfs/dbraw/zinc/96/55/83/556965583.db2.gz HKJIIOXFIROZNZ-RUZDIDTESA-N 0 1 436.556 4.254 40 0 IIABMN Cc1cc2c(cc1CN1CCC([C@H](NC(=O)C(C)(C)C)c3nccs3)CC1)OCO2 ZINC000072394594 556965837 /nfs/dbraw/zinc/96/58/37/556965837.db2.gz XGMNGQROPJGUEX-FQEVSTJZSA-N 0 1 429.586 4.296 40 0 IIABMN COc1ccc(CN2CCC[C@H]([C@H](NC(=O)c3ccccn3)c3ccccn3)C2)c(F)c1 ZINC000072398672 556970737 /nfs/dbraw/zinc/97/07/37/556970737.db2.gz CAXKFEMWOMWQSU-CYFREDJKSA-N 0 1 434.515 4.008 40 0 IIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2Cl)c(C)c1 ZINC000409408917 557108014 /nfs/dbraw/zinc/10/80/14/557108014.db2.gz FDNOCKYQEQBUOF-UHFFFAOYSA-N 0 1 438.977 4.303 40 0 IIABMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000020765724 557127730 /nfs/dbraw/zinc/12/77/30/557127730.db2.gz ZSPIDKMXNHICIQ-UHFFFAOYSA-N 0 1 436.533 4.479 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C([O-])=C3ON2c2ccccc2)c(OC)c1 ZINC000102726836 557131176 /nfs/dbraw/zinc/13/11/76/557131176.db2.gz BFNZJMMKTNKZMB-TZRRMPRUSA-N 0 1 444.487 4.063 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]3ON2c2ccccc2)c(OC)c1 ZINC000102726836 557131184 /nfs/dbraw/zinc/13/11/84/557131184.db2.gz BFNZJMMKTNKZMB-TZRRMPRUSA-N 0 1 444.487 4.063 40 0 IIABMN O[C@H](COCC(c1ccccc1)c1ccccc1)CN1CCN(Cc2ccccc2)CC1 ZINC000040373152 557414605 /nfs/dbraw/zinc/41/46/05/557414605.db2.gz PGKFQFVOGGTPJW-MHZLTWQESA-N 0 1 430.592 4.014 40 0 IIABMN Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3cccnc3)ccc2Cl)c1 ZINC000014153334 557423876 /nfs/dbraw/zinc/42/38/76/557423876.db2.gz FNMNUCCZBMJMEI-UHFFFAOYSA-N 0 1 429.929 4.083 40 0 IIABMN O=c1[nH]c2cc(Cl)c(S(=O)(=O)Nc3ccc(OCc4ccccc4)cc3)cc2o1 ZINC000223327363 557459539 /nfs/dbraw/zinc/45/95/39/557459539.db2.gz ICOJDWHJNFOWTP-UHFFFAOYSA-N 0 1 430.869 4.154 40 0 IIABMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000223376327 557464535 /nfs/dbraw/zinc/46/45/35/557464535.db2.gz UUYCYPSIVKALSW-UHFFFAOYSA-N 0 1 436.533 4.397 40 0 IIABMN CSc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(I)cc1 ZINC000223435419 557471769 /nfs/dbraw/zinc/47/17/69/557471769.db2.gz PUHFDZMNMURRQD-UHFFFAOYSA-N 0 1 439.727 4.467 40 0 IIABMN Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)C34CC5C[C@H](C3)CC[C@@H](C5)C4)cc2)n1 ZINC000016778747 557475597 /nfs/dbraw/zinc/47/55/97/557475597.db2.gz FEORCVBEUPSTEN-DPFRCYKMSA-N 0 1 440.569 4.131 40 0 IIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCOc3ccccc3)ccc2Cl)cc1 ZINC000223960386 557534903 /nfs/dbraw/zinc/53/49/03/557534903.db2.gz YSHCICFVPFNSKF-UHFFFAOYSA-N 0 1 444.940 4.258 40 0 IIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3Cl)cc2)c(OC)c1 ZINC000224524984 557616398 /nfs/dbraw/zinc/61/63/98/557616398.db2.gz QOAGNJRJVMALRF-UHFFFAOYSA-N 0 1 446.912 4.410 40 0 IIABMN COc1ccc(-c2nnc(NC(=O)[C@@H]3CCCN(Cc4ccc(F)cc4)C3)s2)cc1 ZINC000225728027 557769612 /nfs/dbraw/zinc/76/96/12/557769612.db2.gz YQMLGRHHVDRPRG-QGZVFWFLSA-N 0 1 426.517 4.204 40 0 IIABMN O=C([C@@H]1Cc2nc[nH]c2CN1Cc1ccc(Cl)cc1)N1CCC(Cc2ccccc2)CC1 ZINC000015676343 560094597 /nfs/dbraw/zinc/09/45/97/560094597.db2.gz BRDJOJALJRTETL-VWLOTQADSA-N 0 1 448.998 4.471 40 0 biogenic,in-vitro IIABMN COc1cccc(OC)c1CN1CCC[C@H]([C@@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000057774049 568625961 /nfs/dbraw/zinc/62/59/61/568625961.db2.gz RRNLSRWDBCCRJH-UQBPGWFLSA-N 0 1 425.573 4.214 40 0 IIABMN Cc1nc([C@H]2CCCN(Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257250001 568688747 /nfs/dbraw/zinc/68/87/47/568688747.db2.gz JKOVSXISKMEJLD-FQEVSTJZSA-N 0 1 433.531 4.188 40 0 IIABMN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(CC(=O)Nc4cnn(C)c4C)C3)c2)c1 ZINC000257252608 568689833 /nfs/dbraw/zinc/68/98/33/568689833.db2.gz JVKFRESFMWOGPJ-IBGZPJMESA-N 0 1 448.571 4.002 40 0 IIABMN CN(C(=O)c1cn[nH]c1[C@@H]1CCCCN1C(=O)CCCc1ccncc1)C1CCCCC1 ZINC000257276005 568700413 /nfs/dbraw/zinc/70/04/13/568700413.db2.gz NRYULNAGKLMLNY-QFIPXVFZSA-N 0 1 437.588 4.286 40 0 IIABMN COc1ccc(OCCc2cc([C@@H]3CN(Cc4cn(C)c5ccccc45)CCO3)n[nH]2)cc1 ZINC000257312747 568716895 /nfs/dbraw/zinc/71/68/95/568716895.db2.gz UPJFJMOTUFWCBR-SANMLTNESA-N 0 1 446.551 4.105 40 0 IIABMN CCCCc1ncc(CN2CCN(CC)C(=O)[C@@H](Cc3ccccc3-c3cccnc3)C2)[nH]1 ZINC000257334255 568726364 /nfs/dbraw/zinc/72/63/64/568726364.db2.gz YFEBPZMZIHNDCN-QHCPKHFHSA-N 0 1 445.611 4.337 40 0 IIABMN CCCCc1cc(C(=O)N2[C@H]3C[C@@]4(C)[C@@H]2CCC[C@H]4N(C(C)=O)[C@@H]3Cc2ccccc2)n[nH]1 ZINC000257336825 568727450 /nfs/dbraw/zinc/72/74/50/568727450.db2.gz YQEXEVSLFBCHPN-AMVJKZIMSA-N 0 1 448.611 4.368 40 0 IIABMN O=C1N(Cc2ccccc2)CCO[C@@]12CN(Cc1cccc(Cl)c1)C[C@H]2c1cccnc1 ZINC000306127557 568764687 /nfs/dbraw/zinc/76/46/87/568764687.db2.gz GBWDKXHDCFSKEL-AZGAKELHSA-N 0 1 447.966 4.132 40 0 IIABMN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1cccc(Cl)c1)C[C@H]2c1cccnc1 ZINC000306127555 568764708 /nfs/dbraw/zinc/76/47/08/568764708.db2.gz GBWDKXHDCFSKEL-AHWVRZQESA-N 0 1 447.966 4.132 40 0 IIABMN O=C(N[C@H](c1ccccn1)[C@H]1CCCN(Cc2ccccc2C(F)(F)F)C1)[C@H]1CCCO1 ZINC000247522802 569205912 /nfs/dbraw/zinc/20/59/12/569205912.db2.gz YHUKXGSHORGOJF-BWAGFHJFSA-N 0 1 447.501 4.349 40 0 IIABMN CCOc1cc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc(Cl)c1OC ZINC000010131127 569221619 /nfs/dbraw/zinc/22/16/19/569221619.db2.gz SEWLBXWDRGMUSM-MHWRWJLKSA-N 0 1 444.940 4.141 40 0 IIABMN COc1ccccc1/C=C/CN1CCC[C@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000012157813 569224940 /nfs/dbraw/zinc/22/49/40/569224940.db2.gz HPDFJXXPPNBDQC-IVFUSOGKSA-N 0 1 448.592 4.443 40 0 IIABMN COc1cccc(CN2CCC[C@@H]([C@@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000019567744 569226990 /nfs/dbraw/zinc/22/69/90/569226990.db2.gz FJRRBMMJYXDOIQ-WIYYLYMNSA-N 0 1 443.613 4.420 40 0 IIABMN Cc1nc([C@]2(O)CCCN(Cc3cccnc3)CC2)sc1CCOc1ccccc1F ZINC000019696259 569229623 /nfs/dbraw/zinc/22/96/23/569229623.db2.gz RKOOLFCJNADFEO-DEOSSOPVSA-N 0 1 441.572 4.481 40 0 IIABMN Cc1nc([C@]2(O)CCCN(Cc3cccnc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704899 569233836 /nfs/dbraw/zinc/23/38/36/569233836.db2.gz FSJRCWBWEHSKCN-DEOSSOPVSA-N 0 1 441.572 4.481 40 0 IIABMN COC(=O)c1ccccc1NC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000020241819 569241138 /nfs/dbraw/zinc/24/11/38/569241138.db2.gz WELCFTZQCONCQO-UHFFFAOYSA-N 0 1 443.547 4.043 40 0 IIABMN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000003947405 569457085 /nfs/dbraw/zinc/45/70/85/569457085.db2.gz AWDXDWFKEIHFHY-UHFFFAOYSA-N 0 1 445.928 4.334 40 0 IIABMN Cc1cc(C)c(C)c(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 ZINC000020462180 524251578 /nfs/dbraw/zinc/25/15/78/524251578.db2.gz DBFTYKFYMBYLOM-GOSISDBHSA-N 0 1 439.537 4.214 40 0 IIABMN COc1ccccc1CN(C)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000020454315 524435241 /nfs/dbraw/zinc/43/52/41/524435241.db2.gz UCVACEXRGLXJRU-UHFFFAOYSA-N 0 1 444.940 4.422 40 0 IIABMN Cc1ccc(S[C@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000020492901 525668885 /nfs/dbraw/zinc/66/88/85/525668885.db2.gz JEHNHBAKFQHOBG-MRXNPFEDSA-N 0 1 427.551 4.310 40 0 IIABMN O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020483949 526446403 /nfs/dbraw/zinc/44/64/03/526446403.db2.gz PIVNIBVORCTUGG-UHFFFAOYSA-N 0 1 445.928 4.334 40 0 IIABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2C)c1 ZINC000408559063 555898613 /nfs/dbraw/zinc/89/86/13/555898613.db2.gz LABIXSGAGLKITP-UHFFFAOYSA-N 0 1 440.521 4.455 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(O[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000408613864 555984324 /nfs/dbraw/zinc/98/43/24/555984324.db2.gz WQFRCTJGWXQEMW-KRWDZBQOSA-N 0 1 446.569 4.021 40 0 IIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3)c(C)c2)c1 ZINC000408625911 555996454 /nfs/dbraw/zinc/99/64/54/555996454.db2.gz UNONLFIOMXXQNS-UHFFFAOYSA-N 0 1 426.494 4.065 40 0 IIABMN Cc1ccc(C)c([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2C)c1 ZINC000010112040 556325941 /nfs/dbraw/zinc/32/59/41/556325941.db2.gz IJVQXYDPJQCGCQ-UHFFFAOYSA-N 0 1 443.613 4.018 40 0 IIABMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@@H]1c1cc(Cl)c(OCC)c(OCC)c1 ZINC000015017298 556486475 /nfs/dbraw/zinc/48/64/75/556486475.db2.gz GFQAOHPBRMIJOP-HXUWFJFHSA-N 0 1 444.915 4.466 40 0 IIABMN CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013612367 556534742 /nfs/dbraw/zinc/53/47/42/556534742.db2.gz OHIVQXQBIUZTQW-JOCHJYFZSA-N 0 1 443.613 4.180 40 0 IIABMN CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013612367 556534745 /nfs/dbraw/zinc/53/47/45/556534745.db2.gz OHIVQXQBIUZTQW-JOCHJYFZSA-N 0 1 443.613 4.180 40 0 IIABMN CC[C@H](NC(=O)C1CCN(Cc2ccc(Cl)cc2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000044856981 556672833 /nfs/dbraw/zinc/67/28/33/556672833.db2.gz ONAICEYYTDMUCT-QFIPXVFZSA-N 0 1 449.016 4.223 40 0 IIABMN COc1ccc(OC)c(CN2CCC([C@H](NC(=O)C(C)(C)C)c3ccccn3)CC2)c1 ZINC000019082009 556696751 /nfs/dbraw/zinc/69/67/51/556696751.db2.gz CNQZHSKWZLNKAF-QHCPKHFHSA-N 0 1 425.573 4.214 40 0 IIABMN Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)cc1 ZINC000019209734 556708431 /nfs/dbraw/zinc/70/84/31/556708431.db2.gz BBIKJUPRUVNFHI-DEOSSOPVSA-N 0 1 448.611 4.478 40 0 IIABMN COc1ccc(F)cc1-c1ccc(CC2(C(=O)N[C@@H]3CCCN(C)C3)CCOCC2)cc1 ZINC000257267758 556713447 /nfs/dbraw/zinc/71/34/47/556713447.db2.gz MIQFSZAEBZYQDF-JOCHJYFZSA-N 0 1 440.559 4.051 40 0 IIABMN O=C(c1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019342683 556740260 /nfs/dbraw/zinc/74/02/60/556740260.db2.gz NCMBJJLNXQQLFH-IBGZPJMESA-N 0 1 426.586 4.302 40 0 IIABMN Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)[C@@H](C)Sc3ccccc3)cc2)n1 ZINC000145287549 556744000 /nfs/dbraw/zinc/74/40/00/556744000.db2.gz BRSYHIZZIFCJMB-MRXNPFEDSA-N 0 1 442.566 4.014 40 0 IIABMN O=C(c1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@H+](CC1CCCCC1)CC2 ZINC000019406406 556755249 /nfs/dbraw/zinc/75/52/49/556755249.db2.gz DIDSPULDSFFXPE-OAQYLSRUSA-N 0 1 440.613 4.137 40 0 IIABMN O=C(c1ccsc1)N1CCCC[C@@H]1c1nc2c(c(=O)[n-]1)C[N@@H+](CC1CCCCC1)CC2 ZINC000019406406 556755250 /nfs/dbraw/zinc/75/52/50/556755250.db2.gz DIDSPULDSFFXPE-OAQYLSRUSA-N 0 1 440.613 4.137 40 0 IIABMN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)Cc4ccccc4)[n-]c(=O)c3C2)CC1 ZINC000019495995 556768638 /nfs/dbraw/zinc/76/86/38/556768638.db2.gz CVJPRUAGPZDJBK-PXLSRWGNSA-N 0 1 434.584 4.025 40 0 IIABMN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)Cc4ccccc4)[n-]c(=O)c3C2)CC1 ZINC000019495995 556768639 /nfs/dbraw/zinc/76/86/39/556768639.db2.gz CVJPRUAGPZDJBK-PXLSRWGNSA-N 0 1 434.584 4.025 40 0 IIABMN CCc1cc(C(F)(F)F)c2c(n1)onc2[C@@H]1CCCN(C(=O)c2cc(C3CC3)[nH]n2)C1 ZINC000019521975 556778763 /nfs/dbraw/zinc/77/87/63/556778763.db2.gz OOMBLTZBNWIRCA-GFCCVEGCSA-N 0 1 433.434 4.424 40 0 IIABMN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)Cc2ccc(OC)cc2)CC1)c1ccccc1 ZINC000019526675 556785129 /nfs/dbraw/zinc/78/51/29/556785129.db2.gz AVTLQNIXILBKBU-UHFFFAOYSA-N 0 1 446.551 4.034 40 0 IIABMN COc1ccc2c(c1)[C@H](O)CC1(CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)O2 ZINC000019562189 556803544 /nfs/dbraw/zinc/80/35/44/556803544.db2.gz OEIARFRPPRTDFJ-UXHICEINSA-N 0 1 438.351 4.386 40 0 IIABMN COc1cccc(CN2C[C@@H](c3cc(F)cc(F)c3)[C@]3(C2)CCCCC(=O)N3)c1OC ZINC000019568097 556808102 /nfs/dbraw/zinc/80/81/02/556808102.db2.gz RIJQCHFIQOSPTN-GBXCKJPGSA-N 0 1 430.495 4.010 40 0 IIABMN CC(C)c1cc(C(=O)N2CCC[C@@H](c3nc(N(C)C)ncc3-c3ccc(F)cc3)C2)n[nH]1 ZINC000019693938 556848666 /nfs/dbraw/zinc/84/86/66/556848666.db2.gz FVRPXYGMTCDVJZ-QGZVFWFLSA-N 0 1 436.535 4.215 40 0 IIABMN Cc1nc([C@H]2CCCN(Cc3ccncc3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695720 556852413 /nfs/dbraw/zinc/85/24/13/556852413.db2.gz UNIFSOZCYLFWNR-NRFANRHFSA-N 0 1 445.542 4.178 40 0 IIABMN Cc1ccc2n[nH]c(C(=O)N3CCC[C@@H](c4nc(C)c5c(n4)N(CC4CC4)CCC5)C3)c2c1 ZINC000019707009 556866069 /nfs/dbraw/zinc/86/60/69/556866069.db2.gz NJFREHVFSOBRDE-LJQANCHMSA-N 0 1 444.583 4.152 40 0 IIABMN CC(C)Nc1[nH]nc2nc(C3CCN(C(=O)C[C@H]4CCCO4)CC3)cc(C(F)(F)F)c21 ZINC000019744670 556891280 /nfs/dbraw/zinc/89/12/80/556891280.db2.gz IXHZQDNSQFYKCR-CQSZACIVSA-N 0 1 439.482 4.072 40 0 IIABMN CC(C)(C)SCCNC(=O)c1ccc(CN2CCN(Cc3ccccc3)CC2)cc1 ZINC000408926085 556892178 /nfs/dbraw/zinc/89/21/78/556892178.db2.gz OESHJPPZIQWHGI-UHFFFAOYSA-N 0 1 425.642 4.266 40 0 IIABMN Cn1cc(C(=O)NCc2ccccc2)c(CC2CCN(Cc3ccccc3Cl)CC2)n1 ZINC000019756294 556900028 /nfs/dbraw/zinc/90/00/28/556900028.db2.gz UVFUJRVJUNBEHX-UHFFFAOYSA-N 0 1 436.987 4.458 40 0 IIABMN Cc1nc2ccccn2c1CN1CC[C@H](c2ncc(C(=O)Nc3ccccc3F)c(C)n2)C1 ZINC000019758080 556901842 /nfs/dbraw/zinc/90/18/42/556901842.db2.gz IHNHYNKNDCIGDE-SFHVURJKSA-N 0 1 444.514 4.122 40 0 IIABMN COc1cccc(CN2CCC[C@H]([C@H](NC(=O)C3CCCC3)c3nccs3)C2)c1OC ZINC000072341428 556913692 /nfs/dbraw/zinc/91/36/92/556913692.db2.gz FJRRBMMJYXDOIQ-RXVVDRJESA-N 0 1 443.613 4.420 40 0 IIABMN O=C(CN1CCCC1)N1CCC[C@H](c2cccc(Cc3ccc(C(F)(F)F)cc3)n2)C1 ZINC000072349738 556919682 /nfs/dbraw/zinc/91/96/82/556919682.db2.gz PSSBWKTULNFZKQ-IBGZPJMESA-N 0 1 431.502 4.493 40 0 IIABMN Cc1cc(C)nc(Nc2ccc([C@@H]3CCCN(CC(=O)N(C)C4CCCCC4)C3)nc2)n1 ZINC000072353274 556926245 /nfs/dbraw/zinc/92/62/45/556926245.db2.gz WXZPKCLJVSINHT-HXUWFJFHSA-N 0 1 436.604 4.203 40 0 IIABMN COc1cccc(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)c1 ZINC000072371227 556937602 /nfs/dbraw/zinc/93/76/02/556937602.db2.gz YHZHKLWDLBCHIX-KRWDZBQOSA-N 0 1 425.916 4.323 40 0 IIABMN O=C(c1ccccn1)N1CC[C@@H](c2cc(CCOc3ccccc3C(F)(F)F)[nH]n2)C1 ZINC000072371285 556937947 /nfs/dbraw/zinc/93/79/47/556937947.db2.gz FABMQNIOLDSYHB-OAHLLOKOSA-N 0 1 430.430 4.075 40 0 IIABMN O=C(CC1(O)CCCCC1)N1CC[C@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371706 556940436 /nfs/dbraw/zinc/94/04/36/556940436.db2.gz 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CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C([O-])=C3ON2c2ccccc2)ccc1O ZINC000102744755 557132181 /nfs/dbraw/zinc/13/21/81/557132181.db2.gz RJMNYYGBCXEPKN-TZRRMPRUSA-N 0 1 444.487 4.150 40 0 IIABMN CCOc1cc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102744755 557132185 /nfs/dbraw/zinc/13/21/85/557132185.db2.gz RJMNYYGBCXEPKN-TZRRMPRUSA-N 0 1 444.487 4.150 40 0 IIABMN C[C@@H](Oc1cccc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000216264287 557141656 /nfs/dbraw/zinc/14/16/56/557141656.db2.gz WVDWHRMGGMVPJL-QGZVFWFLSA-N 0 1 447.516 4.442 40 0 IIABMN CN1CCN(c2ccc(NC(=S)NC(=O)C(c3ccccc3)c3ccccc3)cc2)CC1 ZINC000006287910 557150637 /nfs/dbraw/zinc/15/06/37/557150637.db2.gz QBVXXPFNHVKSSZ-UHFFFAOYSA-N 0 1 444.604 4.084 40 0 IIABMN Cc1cnc(Nc2cc([C@@H]3CCCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)nc(C)n2)s1 ZINC000585263522 557203742 /nfs/dbraw/zinc/20/37/42/557203742.db2.gz POVQWMOCWMLJCN-MRXNPFEDSA-N 0 1 447.568 4.498 40 0 IIABMN Cc1ccc(Cl)cc1N1CCN(C[C@H](O)COCCOc2ccc(C(C)C)cc2)CC1 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568792171 /nfs/dbraw/zinc/79/21/71/568792171.db2.gz BTGUKMUBVDODEV-AREMUKBSSA-N 0 1 430.592 4.450 40 0 IIABMN COc1ccc(-c2cn3cccnc3n2)cc1NS(=O)(=O)c1ccc2ccccc2c1 ZINC000013566912 568905198 /nfs/dbraw/zinc/90/51/98/568905198.db2.gz ARTZJOQQSLYOPZ-UHFFFAOYSA-N 0 1 430.489 4.359 40 0 IIABMN O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCC[N@@H+]3C[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000247962898 569206699 /nfs/dbraw/zinc/20/66/99/569206699.db2.gz YGXGUXDMZNXTPE-VGSWGCGISA-N 0 1 436.531 4.013 40 0 IIABMN O=C(c1ccc(F)cc1)N1CCc2nc([C@@H]3CCC[N@H+]3C[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000247962898 569206700 /nfs/dbraw/zinc/20/67/00/569206700.db2.gz YGXGUXDMZNXTPE-VGSWGCGISA-N 0 1 436.531 4.013 40 0 IIABMN COc1ccc(C[N@H+]2C[C@H](c3cc(OC)c(OC)c(OC)c3)[C@H]3CCC[C@H]32)c(OC)c1 ZINC000248140432 569207309 /nfs/dbraw/zinc/20/73/09/569207309.db2.gz PMBSDMZFIWCRCJ-NJDAHSKKSA-N 0 1 427.541 4.498 40 0 IIABMN O=C(c1nc2ccc(F)cc2[nH]1)N1CC[C@@H](c2cc(COc3ccccc3Cl)n[nH]2)C1 ZINC000019704629 569233479 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IIABMN COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1N1CCCC1=O ZINC000044900326 556677182 /nfs/dbraw/zinc/67/71/82/556677182.db2.gz GRPAYYOYRGLCLR-UHFFFAOYSA-N 0 1 438.505 4.415 40 0 IIABMN Cc1cccc([C@@H]2CN(Cc3cnc(-c4ccccc4C)nc3)C[C@]23CCCCC(=O)N3)n1 ZINC000019237557 556722680 /nfs/dbraw/zinc/72/26/80/556722680.db2.gz JNWROGWTONVHRA-WNCULLNHSA-N 0 1 441.579 4.184 40 0 IIABMN CCOc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000013804569 556743020 /nfs/dbraw/zinc/74/30/20/556743020.db2.gz HQSPYXVGXOZEBV-VABKMULXSA-N 0 1 432.451 4.276 40 0 IIABMN O=C(Cc1ccccc1)N1CCCC[C@@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019370221 556747825 /nfs/dbraw/zinc/74/78/25/556747825.db2.gz RACWTOWUZKAZOW-HSZRJFAPSA-N 0 1 434.584 4.169 40 0 IIABMN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000095483640 556757396 /nfs/dbraw/zinc/75/73/96/556757396.db2.gz NCHDXFHHGQEGQN-SGNDLWITSA-N 0 1 444.487 4.063 40 0 IIABMN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)Cc2ccccc2F)CC1)c1ccccc1 ZINC000019526677 556785079 /nfs/dbraw/zinc/78/50/79/556785079.db2.gz AVXIQCIQMPCDRK-UHFFFAOYSA-N 0 1 434.515 4.164 40 0 IIABMN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)Cc2ccccc2OC)CC1)c1ccccc1 ZINC000019526678 556785124 /nfs/dbraw/zinc/78/51/24/556785124.db2.gz XUPKAQVRJJWPRY-UHFFFAOYSA-N 0 1 446.551 4.034 40 0 IIABMN CCN1CCN(Cc2c[nH]nc2C(C)(C)C)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527706 556787064 /nfs/dbraw/zinc/78/70/64/556787064.db2.gz SKVXBTOIDWESGD-JOCHJYFZSA-N 0 1 445.611 4.292 40 0 IIABMN COc1ccc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccncc2)cc1OC ZINC000019585265 556822447 /nfs/dbraw/zinc/82/24/47/556822447.db2.gz YWXPYBRUCHAHJO-NRFANRHFSA-N 0 1 433.556 4.349 40 0 IIABMN CCn1ncc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c1C ZINC000019694354 556850331 /nfs/dbraw/zinc/85/03/31/556850331.db2.gz KHSXUARHYSHNGF-QHCPKHFHSA-N 0 1 434.588 4.470 40 0 IIABMN CCOCc1ccc(C(=O)N2CCC[C@H](c3cc(C(F)(F)F)c4c(N)[nH]nc4n3)C2)cc1 ZINC000019742169 556885901 /nfs/dbraw/zinc/88/59/01/556885901.db2.gz CTSISQUVULCKJR-HNNXBMFYSA-N 0 1 447.461 4.115 40 0 IIABMN COc1c(C)cccc1C(=O)N1CCCC[C@H]1c1cc(C(F)(F)F)c2c(N)[nH]nc2n1 ZINC000019743394 556887942 /nfs/dbraw/zinc/88/79/42/556887942.db2.gz NFEMYUDBLQAHIZ-HNNXBMFYSA-N 0 1 433.434 4.243 40 0 IIABMN Cc1ccccc1OCCC(=O)N1CCC(c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)CC1 ZINC000019744672 556891242 /nfs/dbraw/zinc/89/12/42/556891242.db2.gz JCTIMPPKZDHPLS-UHFFFAOYSA-N 0 1 447.461 4.042 40 0 IIABMN CCc1ncc(CN2CCC(Cc3cc(NCc4ccccc4F)nc(C)n3)CC2)cn1 ZINC000019758911 556902550 /nfs/dbraw/zinc/90/25/50/556902550.db2.gz AUEDDJFQTCWSCW-UHFFFAOYSA-N 0 1 434.563 4.343 40 0 IIABMN NC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1C(=O)c1nc2ccc(F)cc2[nH]1 ZINC000072370394 556934714 /nfs/dbraw/zinc/93/47/14/556934714.db2.gz WLIBKFZEBACYPG-CQSZACIVSA-N 0 1 436.512 4.253 40 0 IIABMN CC(C)c1ccc(OCCc2cc([C@H]3CCN(S(=O)(=O)c4ccccc4)C3)n[nH]2)cc1 ZINC000072371280 556937954 /nfs/dbraw/zinc/93/79/54/556937954.db2.gz JGFLPFSVAZABPB-FQEVSTJZSA-N 0 1 439.581 4.333 40 0 IIABMN O=C(CN1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371243 556938097 /nfs/dbraw/zinc/93/80/97/556938097.db2.gz VXAXVTSIHSLIGC-MRXNPFEDSA-N 0 1 442.922 4.252 40 0 IIABMN Cc1nc(C)c(C(=O)N2CC[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)o1 ZINC000072371542 556939531 /nfs/dbraw/zinc/93/95/31/556939531.db2.gz RSNJSEAACWHHTC-OAHLLOKOSA-N 0 1 448.445 4.285 40 0 IIABMN O=C(CC1(O)CCCCC1)N1CC[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000072371705 556940412 /nfs/dbraw/zinc/94/04/12/556940412.db2.gz YRISSNFTZRYNJP-QGZVFWFLSA-N 0 1 431.964 4.086 40 0 IIABMN Cc1cccn2cc(C(=O)N3CC[C@@H](c4cc(CCOc5cccc(Cl)c5)[nH]n4)C3)nc12 ZINC000072371748 556940804 /nfs/dbraw/zinc/94/08/04/556940804.db2.gz QXDXXFQSTAZDIO-QGZVFWFLSA-N 0 1 449.942 4.270 40 0 IIABMN Cc1nc(CC(=O)N2CCC[C@@H](c3cc(Nc4nc(C)cc(C)n4)cc(C)n3)C2)cs1 ZINC000072374969 556949799 /nfs/dbraw/zinc/94/97/99/556949799.db2.gz DURSSWHOMVQAJS-GOSISDBHSA-N 0 1 436.585 4.254 40 0 IIABMN COc1ccccc1S(=O)(=O)N1CCC[C@@H](c2cc(Nc3ccccn3)cc(C)n2)C1 ZINC000072375051 556950614 /nfs/dbraw/zinc/95/06/14/556950614.db2.gz WGYOVFMUQTWFMX-GOSISDBHSA-N 0 1 438.553 4.106 40 0 IIABMN COCc1cc(C[N@@H+]2CCC[C@@H]2c2cncc([N-]c3nncs3)n2)ccc1OC(C)C ZINC000072376456 556954806 /nfs/dbraw/zinc/95/48/06/556954806.db2.gz FDQJNTOKOMIHST-LJQANCHMSA-N 0 1 440.573 4.342 40 0 IIABMN COCc1cc(C[N@H+]2CCC[C@@H]2c2cncc([N-]c3nncs3)n2)ccc1OC(C)C ZINC000072376456 556954808 /nfs/dbraw/zinc/95/48/08/556954808.db2.gz FDQJNTOKOMIHST-LJQANCHMSA-N 0 1 440.573 4.342 40 0 IIABMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102735963 557131851 /nfs/dbraw/zinc/13/18/51/557131851.db2.gz YCFGGOFKEXXIIW-TZRRMPRUSA-N 0 1 428.488 4.363 40 0 IIABMN CC(C)CN1CC2(CCN(Cc3ccc(F)cc3)CC2)COc2ccccc2S1(=O)=O ZINC000096145153 557174047 /nfs/dbraw/zinc/17/40/47/557174047.db2.gz HPDXYQQPMUYRID-UHFFFAOYSA-N 0 1 446.588 4.147 40 0 IIABMN CC(=O)N1CCc2nc3cc([C@@H]4CCCC[N@@H+]4Cc4ccc(C(C)C)cc4)[n-]n3c(=O)c2C1 ZINC000100242922 557254514 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/nfs/dbraw/zinc/66/98/89/557669889.db2.gz LDBVCRGKRPCNQM-SFHVURJKSA-N 0 1 444.582 4.165 40 0 IIABMN CN(Cc1ccc(F)cc1)[C@@H]1[C@@H](O)[C@H](Oc2ccccc2)CC[C@H]1NC(=O)OC(C)(C)C ZINC000585262345 568616416 /nfs/dbraw/zinc/61/64/16/568616416.db2.gz QFJYODMFBUKPMA-LUKWVAJMSA-N 0 1 444.547 4.122 40 0 IIABMN CC1(C)Oc2ccccc2[C@H]2O[C@H]3CCC[N@@H+](Cc4ccc(OCC(=O)[O-])cc4)[C@H]3C[C@@H]21 ZINC000257218707 568673680 /nfs/dbraw/zinc/67/36/80/568673680.db2.gz DEEOXQDMJFXMMN-FZZWXMEGSA-N 0 1 437.536 4.432 40 0 IIABMN COc1cc2c(cc1CNc1cc(-c3cn[nH]c3[C@@H]3CCN(C(C)=O)C3)ccn1)CCCC2 ZINC000257223415 568675815 /nfs/dbraw/zinc/67/58/15/568675815.db2.gz DXGUQDZCJDALEG-OAQYLSRUSA-N 0 1 445.567 4.307 40 0 IIABMN Cc1nc([C@@H]2CCCN(Cc3ccccn3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257230160 568679063 /nfs/dbraw/zinc/67/90/63/568679063.db2.gz GBCDQOTYWHNHAY-LJQANCHMSA-N 0 1 433.531 4.188 40 0 IIABMN CC(C)N(C(=O)CN1CCC(c2cccc(Nc3cnccn3)n2)CC1)C1CCCCC1 ZINC000257247700 568687353 /nfs/dbraw/zinc/68/73/53/568687353.db2.gz JACASHVBHWCBQX-UHFFFAOYSA-N 0 1 436.604 4.364 40 0 IIABMN CCc1nnc([N-]c2cccc([C@H]3CCCN(C(=O)CC[NH+]4CCC(C)CC4)C3)n2)s1 ZINC000257250911 568688980 /nfs/dbraw/zinc/68/89/80/568688980.db2.gz JONLHNOHSWXSIH-SFHVURJKSA-N 0 1 442.633 4.067 40 0 IIABMN CC(C)n1cc(CN2CCC[C@@H](c3nc4ccc(NCc5ccccc5)cn4n3)C2)cn1 ZINC000306128229 568764927 /nfs/dbraw/zinc/76/49/27/568764927.db2.gz GUUHEQFOZGZRLA-JOCHJYFZSA-N 0 1 429.572 4.498 40 0 IIABMN Cc1ccc(N2C(=O)CC(N3C(=O)SC(=Cc4ccc(Cl)cc4)C3=O)C2=O)cc1 ZINC000100859897 568900351 /nfs/dbraw/zinc/90/03/51/568900351.db2.gz NEICUGHFAJPPPA-FNTDYBJHSA-N 0 1 426.881 4.017 40 0 IIABMN Cc1ccc(N2C(=O)C[C@@H](N3C(=O)SC(=Cc4ccc(Cl)cc4)C3=O)C2=O)cc1 ZINC000100859897 568900354 /nfs/dbraw/zinc/90/03/54/568900354.db2.gz NEICUGHFAJPPPA-FNTDYBJHSA-N 0 1 426.881 4.017 40 0 IIABMN C=CCOc1ccc(/C=C2\C(=O)NC(=S)N(c3ccc(CC)cc3)C2=O)cc1OCC ZINC000009972881 569220314 /nfs/dbraw/zinc/22/03/14/569220314.db2.gz VEGQVRNJVAOKSX-XMHGGMMESA-N 0 1 436.533 4.044 40 0 IIABMN CCc1ccc(N2C(=O)/C(=C/c3ccc(O[C@H](C)CC)c(OC)c3)C(=O)NC2=S)cc1 ZINC000010131186 569221594 /nfs/dbraw/zinc/22/15/94/569221594.db2.gz ZDMRCXOZTLCZNX-DQPIFXJKSA-N 0 1 438.549 4.266 40 0 IIABMN CN1CCN(c2ccccc2NC(=S)NC(=O)c2cccc3c(Cl)cccc23)CC1 ZINC000033402239 569243804 /nfs/dbraw/zinc/24/38/04/569243804.db2.gz WYDOJVOFZFNWTA-UHFFFAOYSA-N 0 1 438.984 4.372 40 0 IIABMN CCOc1ccc(-c2nnc([C@@H](N)c3ccc(OCC)c(OCC)c3)[nH]2)cc1OCC ZINC000095534631 569374679 /nfs/dbraw/zinc/37/46/79/569374679.db2.gz CSNQOTLTIJTWMN-NRFANRHFSA-N 0 1 426.517 4.115 40 0 IIABMN CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2ccncc2[nH]1 ZINC000072320830 291380851 /nfs/dbraw/zinc/38/08/51/291380851.db2.gz OCIOIMQJTCLBHG-ZJOUEHCJSA-N 0 1 438.597 4.334 40 0 biogenic,in-vitro IIABMN CC1=C[C@@H](CNS(=O)(=O)c2ccccc2)[C@H](C(C)C)C[C@H]1Cc1nc2cnccc2[nH]1 ZINC000072320830 291380853 /nfs/dbraw/zinc/38/08/53/291380853.db2.gz OCIOIMQJTCLBHG-ZJOUEHCJSA-N 0 1 438.597 4.334 40 0 biogenic,in-vitro IIABMN O=C([O-])c1ccc(C[N@@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000096112246 291386130 /nfs/dbraw/zinc/38/61/30/291386130.db2.gz CJWUUEVCTMGWGD-QAPCUYQASA-N 0 1 437.393 4.019 40 0 biogenic,in-vitro IIABMN O=C([O-])c1ccc(C[N@H+]2C[C@@H](F)[C@@H](OCc3nc4cc(C(F)(F)F)ccc4[nH]3)C2)cc1 ZINC000096112246 291386135 /nfs/dbraw/zinc/38/61/35/291386135.db2.gz CJWUUEVCTMGWGD-QAPCUYQASA-N 0 1 437.393 4.019 40 0 biogenic,in-vitro IIABMN COc1ccc(-c2c(C)[n-]n3c2nc([C@H]2CC[N@@H+](Cc4ccccc4)C2)cc3=O)cc1OC ZINC000012159333 523079481 /nfs/dbraw/zinc/07/94/81/523079481.db2.gz NOBNNZJNATYKLN-FQEVSTJZSA-N 0 1 444.535 4.417 40 0 IIABMN Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000020457485 524642908 /nfs/dbraw/zinc/64/29/08/524642908.db2.gz SMAQWKPSASEBLF-UHFFFAOYSA-N 0 1 427.551 4.063 40 0 IIABMN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000020455302 525666632 /nfs/dbraw/zinc/66/66/32/525666632.db2.gz GBYKUICSFJIBMU-INIZCTEOSA-N 0 1 427.551 4.310 40 0 IIABMN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000022524028 527023218 /nfs/dbraw/zinc/02/32/18/527023218.db2.gz NHNPQQYTUJSHNX-UHFFFAOYSA-N 0 1 447.969 4.408 40 0 IIABMN CCOC(=O)c1ccc(NC(=O)CSc2nnc(C34CC5CC(CC(C5)C3)C4)[nH]2)cc1 ZINC000408580442 555932888 /nfs/dbraw/zinc/93/28/88/555932888.db2.gz BUQUKYGFXHHQNC-UHFFFAOYSA-N 0 1 440.569 4.180 40 0 IIABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3Cl)n2)c1 ZINC000408638239 556015482 /nfs/dbraw/zinc/01/54/82/556015482.db2.gz QCEZXSFPXMPEEN-UHFFFAOYSA-N 0 1 436.324 4.468 40 0 IIABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)c(Cl)c3)n2)cc1 ZINC000408638302 556015570 /nfs/dbraw/zinc/01/55/70/556015570.db2.gz QYCZGQAUNKITLK-UHFFFAOYSA-N 0 1 436.324 4.468 40 0 IIABMN Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2nnc(-c3ccccc3)o2)cc1 ZINC000009001632 556239865 /nfs/dbraw/zinc/23/98/65/556239865.db2.gz XFLBBKRSCVTXBA-UHFFFAOYSA-N 0 1 434.477 4.098 40 0 IIABMN CC(C)(C)C(=O)Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1 ZINC000028284278 556447624 /nfs/dbraw/zinc/44/76/24/556447624.db2.gz UNDFFTYWLVWZPQ-UHFFFAOYSA-N 0 1 429.311 4.374 40 0 IIABMN Cc1ccc(SCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000030871149 556513720 /nfs/dbraw/zinc/51/37/20/556513720.db2.gz MGWQIEPYQRLQBE-UHFFFAOYSA-N 0 1 427.551 4.312 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccc(C)cc2)cc1 ZINC000015437372 556527595 /nfs/dbraw/zinc/52/75/95/556527595.db2.gz CIPOKBWURDUDPO-KRWDZBQOSA-N 0 1 440.521 4.210 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)CSCc2ccccc2)cc1 ZINC000015437485 556527917 /nfs/dbraw/zinc/52/79/17/556527917.db2.gz MLQRNNHEIPNUND-UHFFFAOYSA-N 0 1 442.562 4.368 40 0 IIABMN COc1ccc(S(=O)(=O)Nc2ccccc2Oc2ccccc2)cc1C(=O)NC(C)C ZINC000013676757 556554416 /nfs/dbraw/zinc/55/44/16/556554416.db2.gz TZUGSVWUSQFQCA-UHFFFAOYSA-N 0 1 440.521 4.427 40 0 IIABMN CC(C)c1ccccc1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000038757061 556618644 /nfs/dbraw/zinc/61/86/44/556618644.db2.gz XYKZQFVXAFDBQZ-KRWDZBQOSA-N 0 1 439.537 4.412 40 0 IIABMN CC[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000044880718 556674224 /nfs/dbraw/zinc/67/42/24/556674224.db2.gz XNAKYNDEJJWNNV-SFHVURJKSA-N 0 1 445.928 4.332 40 0 IIABMN O=C(CCC1CCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019014907 556692113 /nfs/dbraw/zinc/69/21/13/556692113.db2.gz TWKJESVXRJCPLH-IBGZPJMESA-N 0 1 426.605 4.159 40 0 IIABMN Fc1cccc(COc2ccccc2CN2CCOC[C@@H](Cc3cn4ccnc4cn3)C2)c1 ZINC000257221085 556707830 /nfs/dbraw/zinc/70/78/30/556707830.db2.gz DNKIEROAYUSAER-NRFANRHFSA-N 0 1 446.526 4.139 40 0 IIABMN O=C(C1CCCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 ZINC000019343570 556741343 /nfs/dbraw/zinc/74/13/43/556741343.db2.gz IHSHDMQBWRFRTN-NRFANRHFSA-N 0 1 440.613 4.024 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@H]3ON2c2ccccc2)cc1OC ZINC000085994169 556744066 /nfs/dbraw/zinc/74/40/66/556744066.db2.gz JQUZKCPXNCFLNV-SGNDLWITSA-N 0 1 444.487 4.063 40 0 IIABMN CCN(C(=O)c1cn[nH]c1C1CCN(C(=O)c2ccccc2OC)CC1)c1ccccc1 ZINC000019526680 556785192 /nfs/dbraw/zinc/78/51/92/556785192.db2.gz OWRKFNHPIVEFGX-UHFFFAOYSA-N 0 1 432.524 4.105 40 0 IIABMN COc1ccc(CNC(=O)c2cc([C@H]3CCCN(Cc4ccccc4OC)C3)no2)cc1 ZINC000019555848 556799045 /nfs/dbraw/zinc/79/90/45/556799045.db2.gz QHNNPTYTWBIEGQ-IBGZPJMESA-N 0 1 435.524 4.001 40 0 IIABMN COc1ccc2c(c1)OC1(CCN(C[C@H](O)c3ccc(Cl)c(Cl)c3)CC1)C[C@H]2O ZINC000019563014 556804105 /nfs/dbraw/zinc/80/41/05/556804105.db2.gz HDDASCPPCRHHDJ-UXHICEINSA-N 0 1 438.351 4.386 40 0 IIABMN COc1cccc([C@@H]2CN(C(=O)C3CC3)[C@H]3CCN(Cc4cccc(F)c4F)C[C@@H]23)c1 ZINC000019566152 556806840 /nfs/dbraw/zinc/80/68/40/556806840.db2.gz JYIJLASDQHZVLR-FUDKSRODSA-N 0 1 426.507 4.200 40 0 IIABMN COc1ccccc1C1(O)CCN(Cc2ccccc2OCc2ccc3c(c2)OCO3)CC1 ZINC000019569277 556809433 /nfs/dbraw/zinc/80/94/33/556809433.db2.gz KRSMXRGULDSDJW-UHFFFAOYSA-N 0 1 447.531 4.487 40 0 IIABMN COc1ccc(CN2CCC(O)(c3ccccc3OC)CC2)cc1Cn1nc(C)cc1C ZINC000019574426 556814510 /nfs/dbraw/zinc/81/45/10/556814510.db2.gz NMWDEUQXPASOSM-UHFFFAOYSA-N 0 1 435.568 4.049 40 0 IIABMN CN(C(=O)c1cn[nH]c1-c1ccc(CNC(=O)c2cccc(F)c2)cc1)c1ccccc1 ZINC000019586780 556823059 /nfs/dbraw/zinc/82/30/59/556823059.db2.gz YPIHKPQYSUVJMK-UHFFFAOYSA-N 0 1 428.467 4.422 40 0 IIABMN Cc1ccc2n[nH]c(C(=O)N3CCC(c4ccc(-c5cccc(C(N)=O)c5)cn4)CC3)c2c1 ZINC000019687827 556842209 /nfs/dbraw/zinc/84/22/09/556842209.db2.gz SHMXRKKCWMBNBE-UHFFFAOYSA-N 0 1 439.519 4.052 40 0 IIABMN O=C(CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1)Nc1ccc2c(c1)CCC2 ZINC000008828634 556849514 /nfs/dbraw/zinc/84/95/14/556849514.db2.gz QEPIACIUXPDBPG-UHFFFAOYSA-N 0 1 443.473 4.214 40 0 IIABMN CN(C)c1ncccc1CN1CCC([C@H]2CC=CCN(Cc3ccc(F)cc3)C2=O)CC1 ZINC000019698461 556856675 /nfs/dbraw/zinc/85/66/75/556856675.db2.gz XHDXSGOLVABTLT-XMMPIXPASA-N 0 1 436.575 4.104 40 0 IIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)cc3)cc2)c1 ZINC000408906614 556884645 /nfs/dbraw/zinc/88/46/45/556884645.db2.gz IMDVDNDOOOENFZ-UHFFFAOYSA-N 0 1 446.912 4.410 40 0 IIABMN COc1cccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)c1 ZINC000408907773 556885178 /nfs/dbraw/zinc/88/51/78/556885178.db2.gz REBZOHBCQNMFKY-UHFFFAOYSA-N 0 1 426.494 4.065 40 0 IIABMN CCc1ncc(CN2CCC(Cc3cc(NCc4cccc(OC)c4)nc(C)n3)CC2)cn1 ZINC000019758876 556902600 /nfs/dbraw/zinc/90/26/00/556902600.db2.gz IXHAVCMXVMMDSZ-UHFFFAOYSA-N 0 1 446.599 4.213 40 0 IIABMN CC(C)NC(=O)C1(Cc2ccccc2-c2cccs2)CCN(C(=O)c2ccn[nH]2)CC1 ZINC000072345068 556916628 /nfs/dbraw/zinc/91/66/28/556916628.db2.gz OZZAOKQXMQPIOO-UHFFFAOYSA-N 0 1 436.581 4.128 40 0 IIABMN CNc1ncccc1CN1CC[C@@H](c2ncc(C(=O)Nc3ccc(Cl)cc3)c(C)n2)C1 ZINC000072351972 556923003 /nfs/dbraw/zinc/92/30/03/556923003.db2.gz LSBXLNMLVNLWSX-QGZVFWFLSA-N 0 1 436.947 4.117 40 0 IIABMN CC(C)N(Cc1ccccc1)C(=O)CN1CC[C@@H](c2c3ccccc3sc2C(N)=O)C1 ZINC000072352205 556923367 /nfs/dbraw/zinc/92/33/67/556923367.db2.gz GMIAEZCDYWDADR-LJQANCHMSA-N 0 1 435.593 4.227 40 0 IIABMN COCCNC(=O)c1sc2ccccc2c1[C@@H]1CCN(Cc2cnc(C(C)C)nc2)C1 ZINC000072352295 556923622 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IIABMN COc1cc(NC(=O)c2ccccc2NS(=O)(=O)c2ccccc2)c(OC)cc1Cl ZINC000408629632 556004238 /nfs/dbraw/zinc/00/42/38/556004238.db2.gz FKHIEQHEGUCUPC-UHFFFAOYSA-N 0 1 446.912 4.410 40 0 IIABMN O=C(C1CCN(Cc2ccc(Cl)cc2)CC1)N1CCN(C/C=C/c2ccccc2)CC1 ZINC000408710425 556118329 /nfs/dbraw/zinc/11/83/29/556118329.db2.gz YODSISUPGFJBBU-QPJJXVBHSA-N 0 1 438.015 4.410 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)COc2cccc(C)c2C)cc1 ZINC000015437364 556527465 /nfs/dbraw/zinc/52/74/65/556527465.db2.gz GAEXZLAAZIAEMZ-UHFFFAOYSA-N 0 1 440.521 4.130 40 0 IIABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1ccccc1F ZINC000032116778 556532876 /nfs/dbraw/zinc/53/28/76/556532876.db2.gz PBNDKMLTBQKBRH-UHFFFAOYSA-N 0 1 448.111 4.183 40 0 IIABMN O=C1N/C(=C/c2cc(Cl)cc(Br)c2O)C(=O)N1Cc1ccc(F)cc1 ZINC000016401448 556606097 /nfs/dbraw/zinc/60/60/97/556606097.db2.gz QDMKKYSFLSFNRQ-MKMNVTDBSA-N 0 1 425.641 4.040 40 0 IIABMN O=C(CC1CCCCC1)N1CC[C@H](c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)C1 ZINC000019014729 556691837 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426.586 4.302 40 0 IIABMN CC(C)c1nc(C[C@H](NC(=O)Cc2nc3ccc(Cl)cc3[nH]2)c2ccccc2)cc(=O)[nH]1 ZINC000019453552 556764236 /nfs/dbraw/zinc/76/42/36/556764236.db2.gz BYVCVEXXZVBYTK-IBGZPJMESA-N 0 1 449.942 4.066 40 0 IIABMN CC1CCC([N@@H+]2CCc3nc([C@@H]4CCCN4C(=O)Cc4ccsc4)[n-]c(=O)c3C2)CC1 ZINC000019495999 556768693 /nfs/dbraw/zinc/76/86/93/556768693.db2.gz WPJMIYFDTPFYII-IAYYMHMVSA-N 0 1 440.613 4.087 40 0 IIABMN CC1CCC([N@H+]2CCc3nc([C@@H]4CCCN4C(=O)Cc4ccsc4)[n-]c(=O)c3C2)CC1 ZINC000019495999 556768697 /nfs/dbraw/zinc/76/86/97/556768697.db2.gz WPJMIYFDTPFYII-IAYYMHMVSA-N 0 1 440.613 4.087 40 0 IIABMN CCN1CCN(Cc2ccccc2OC)C[C@H](Cc2ccccc2-c2ccncc2)C1=O ZINC000019527763 556787442 /nfs/dbraw/zinc/78/74/42/556787442.db2.gz VEZHDCUNBRBFSU-DEOSSOPVSA-N 0 1 429.564 4.280 40 0 IIABMN Cc1nc([C@H]2CCCN(Cc3ccccn3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695809 556852632 /nfs/dbraw/zinc/85/26/32/556852632.db2.gz PUCQMIGJMHXIIB-FQEVSTJZSA-N 0 1 445.542 4.178 40 0 IIABMN Cc1cc(C)cc(C2(C(=O)N(C)Cc3cc(N(C)C)nc([C@H]4CCCCN4)n3)CCCC2)c1 ZINC000019709866 556871355 /nfs/dbraw/zinc/87/13/55/556871355.db2.gz KYZMXYVCJCUILF-HSZRJFAPSA-N 0 1 449.643 4.444 40 0 IIABMN CC(C)Nc1[nH]nc2nc(C3CCN(C(=O)c4ccccn4)CC3)cc(C(F)(F)F)c21 ZINC000019745074 556891808 /nfs/dbraw/zinc/89/18/08/556891808.db2.gz WBFKDRNCNIHJBC-UHFFFAOYSA-N 0 1 432.450 4.212 40 0 IIABMN O=C(c1ccccn1)N1CC[C@H](c2cc(CCOc3ccccc3C(F)(F)F)[nH]n2)C1 ZINC000072371286 556937879 /nfs/dbraw/zinc/93/78/79/556937879.db2.gz FABMQNIOLDSYHB-HNNXBMFYSA-N 0 1 430.430 4.075 40 0 IIABMN O=C(COc1ccccc1)N1CC[C@@H](c2cc(CCOc3ccccc3Cl)[nH]n2)C1 ZINC000072371276 556938081 /nfs/dbraw/zinc/93/80/81/556938081.db2.gz CLVVCLYXMSVSDO-QGZVFWFLSA-N 0 1 425.916 4.080 40 0 IIABMN CCn1c(CN2CC[C@@H](c3cc(CCOc4ccc(OC)cc4)n[nH]3)C2)nc2ccccc21 ZINC000072371456 556939128 /nfs/dbraw/zinc/93/91/28/556939128.db2.gz GFBHRCKDOQMRGZ-LJQANCHMSA-N 0 1 445.567 4.399 40 0 IIABMN CCn1c(CN2CC[C@@H](c3cc(CCOc4ccc(OC)cc4)[nH]n3)C2)nc2ccccc21 ZINC000072371456 556939130 /nfs/dbraw/zinc/93/91/30/556939130.db2.gz GFBHRCKDOQMRGZ-LJQANCHMSA-N 0 1 445.567 4.399 40 0 IIABMN Cn1cnc2cc(C(=O)N3CC[C@@H](c4cc(CCOc5cccc(Cl)c5)[nH]n4)C3)ccc21 ZINC000072371780 556940825 /nfs/dbraw/zinc/94/08/25/556940825.db2.gz NKZMQPGBLCYWNP-QGZVFWFLSA-N 0 1 449.942 4.201 40 0 IIABMN O=C1N/C(=C/c2cc(Cl)cc(Br)c2O)C(=O)N1Cc1ccccc1F ZINC000409075812 556943826 /nfs/dbraw/zinc/94/38/26/556943826.db2.gz UMVSADZTPWCTPT-MKMNVTDBSA-N 0 1 425.641 4.040 40 0 IIABMN CC(=O)c1cccc(NC(=O)CSc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000019927765 556945327 /nfs/dbraw/zinc/94/53/27/556945327.db2.gz WXGCCKWABDWGTE-UHFFFAOYSA-N 0 1 431.315 4.168 40 0 IIABMN CCOC(=O)[C@@]1(Cc2cc(-c3ccccc3F)no2)CCCN(Cc2cncn2CC)C1 ZINC000072394017 556965318 /nfs/dbraw/zinc/96/53/18/556965318.db2.gz APNIDZWYGAOMEV-XMMPIXPASA-N 0 1 440.519 4.085 40 0 IIABMN COc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)ccc1O ZINC000096786953 556970320 /nfs/dbraw/zinc/97/03/20/556970320.db2.gz BQFOUNRVJDTJHS-SGNDLWITSA-N 0 1 444.487 4.069 40 0 IIABMN O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12)c1ccccc1 ZINC000585110042 557042473 /nfs/dbraw/zinc/04/24/73/557042473.db2.gz ARCIQXTWSFRTPU-RPWUZVMVSA-N 0 1 425.532 4.110 40 0 IIABMN O=C(NC[C@@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN21)c1ccccc1 ZINC000585110040 557042525 /nfs/dbraw/zinc/04/25/25/557042525.db2.gz ARCIQXTWSFRTPU-BJKOFHAPSA-N 0 1 425.532 4.110 40 0 IIABMN Cn1cc(CCC(=O)N2CCCC[C@H]2c2[nH]ncc2C(=O)N2CCCCC2)c2ccccc21 ZINC000585168851 557131428 /nfs/dbraw/zinc/13/14/28/557131428.db2.gz FEYJRLAKKAGKKQ-QHCPKHFHSA-N 0 1 447.583 4.214 40 0 IIABMN COc1cccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)c1 ZINC000102706596 557133020 /nfs/dbraw/zinc/13/30/20/557133020.db2.gz FSPQQKSLNXBBCG-BHIFYINESA-N 0 1 434.879 4.400 40 0 IIABMN CC[C@H](Oc1cccc(C)c1C)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000216265121 557141768 /nfs/dbraw/zinc/14/17/68/557141768.db2.gz KCMTWGYXKJHFGB-NRFANRHFSA-N 0 1 439.537 4.295 40 0 IIABMN Cc1cc(C)c(C)c(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 ZINC000216478323 557147330 /nfs/dbraw/zinc/14/73/30/557147330.db2.gz ZKHHRSOXUOMKNC-SFHVURJKSA-N 0 1 439.537 4.214 40 0 IIABMN Cc1ccc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)cc1 ZINC000216473586 557147499 /nfs/dbraw/zinc/14/74/99/557147499.db2.gz OWXDEDMTECIHMP-UHFFFAOYSA-N 0 1 427.551 4.063 40 0 IIABMN O=C(C=Cc1c[nH]cn1)N1CCC(c2ccc3c(Nc4nccs4)nsc3n2)CC1 ZINC000585292195 557230428 /nfs/dbraw/zinc/23/04/28/557230428.db2.gz YGOMKCJKSASTKA-DAFODLJHSA-N 0 1 437.554 4.034 40 0 IIABMN Cc1c(C(=O)N2CCC(N3CCOCC3)CC2)cccc1-c1ccc(OC(F)(F)F)cc1 ZINC000585294328 557234325 /nfs/dbraw/zinc/23/43/25/557234325.db2.gz YHONTSILCQHBRR-UHFFFAOYSA-N 0 1 448.485 4.497 40 0 IIABMN COc1ccccc1N1CCN(C[C@H](O)COCC(c2ccccc2)c2ccccc2)CC1 ZINC000040373110 557414557 /nfs/dbraw/zinc/41/45/57/557414557.db2.gz CTQHTMZCQNIYCN-VWLOTQADSA-N 0 1 446.591 4.027 40 0 IIABMN Cc1ccc(NS(=O)(=O)c2cc(C(=O)NCCCOC(C)C)ccc2Cl)cc1C ZINC000014154977 557426769 /nfs/dbraw/zinc/42/67/69/557426769.db2.gz BEHBZSLBRUNOPY-UHFFFAOYSA-N 0 1 438.977 4.303 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccc(C)cc2)c1 ZINC000015892217 557467958 /nfs/dbraw/zinc/46/79/58/557467958.db2.gz IWRBPWXHDFXIPF-UHFFFAOYSA-N 0 1 426.494 4.065 40 0 IIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c(OC)c1 ZINC000224530826 557617183 /nfs/dbraw/zinc/61/71/83/557617183.db2.gz RQEHBCGEKYGZDR-UHFFFAOYSA-N 0 1 443.550 4.314 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2cccc(C)c2)cc1 ZINC000224544015 557619492 /nfs/dbraw/zinc/61/94/92/557619492.db2.gz VBIZCPVYQOLUKN-KRWDZBQOSA-N 0 1 440.521 4.210 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2ccccc2C)cc1 ZINC000224558705 557623267 /nfs/dbraw/zinc/62/32/67/557623267.db2.gz AVCMCHPDRIGTON-KRWDZBQOSA-N 0 1 440.521 4.210 40 0 IIABMN Cc1cccc(CN2CCC[C@@H](c3nc(C)c(CC(=O)Nc4ccc(F)cc4)c(C)n3)C2)n1 ZINC000257232768 568680317 /nfs/dbraw/zinc/68/03/17/568680317.db2.gz GMIIXQUNZUJYMY-HXUWFJFHSA-N 0 1 447.558 4.497 40 0 IIABMN Cc1n[nH]c(C)c1CCC(=O)N1CCC(c2cc(Nc3ccc(F)cn3)cc(C)n2)CC1 ZINC000257264190 568695205 /nfs/dbraw/zinc/69/52/05/568695205.db2.gz LTHFCKAEQHXJAT-UHFFFAOYSA-N 0 1 436.535 4.346 40 0 IIABMN CCCCc1cc(C(=O)N2[C@@H]3CCC[C@@H]4N(C(C)=O)[C@@H](C[C@@]43C)[C@@H]2Cc2ccccc2)n[nH]1 ZINC000257294829 568708996 /nfs/dbraw/zinc/70/89/96/568708996.db2.gz QVXGPVVWWVDXHA-WOKGGPCBSA-N 0 1 448.611 4.368 40 0 IIABMN Cc1ccc(C)c(OCCCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 ZINC000001911791 568922242 /nfs/dbraw/zinc/92/22/42/568922242.db2.gz DFAWOLDYUDWKDS-UHFFFAOYSA-N 0 1 439.537 4.297 40 0 IIABMN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1)[C@H]1CCCO1 ZINC000247522811 569205981 /nfs/dbraw/zinc/20/59/81/569205981.db2.gz YHUKXGSHORGOJF-QIJUGHKUSA-N 0 1 447.501 4.349 40 0 IIABMN Cc1ccsc1C[N@@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000253598604 569209007 /nfs/dbraw/zinc/20/90/07/569209007.db2.gz DTAQOTVZXUPCDE-XLIONFOSSA-N 0 1 438.597 4.130 40 0 IIABMN Cc1ccsc1C[N@H+]1CCc2nc([C@@H]3CCCN3C(=O)[C@@H]3CC=CCC3)[n-]c(=O)c2C1 ZINC000253598604 569209009 /nfs/dbraw/zinc/20/90/09/569209009.db2.gz DTAQOTVZXUPCDE-XLIONFOSSA-N 0 1 438.597 4.130 40 0 IIABMN CC(=O)NCCn1nc([C@H]2CCCN(Cc3cccc(Cl)c3Cl)C2)c2cccnc21 ZINC000012219521 569224896 /nfs/dbraw/zinc/22/48/96/569224896.db2.gz LZABBTJKHPFIIK-KRWDZBQOSA-N 0 1 446.382 4.254 40 0 IIABMN Cc1ccc(-c2cc(C[C@]3(C(=O)NCC(C)C)CCCN3Cc3cccnc3)on2)cc1 ZINC000019696502 569229783 /nfs/dbraw/zinc/22/97/83/569229783.db2.gz YCVNSOJTPSUIGT-SANMLTNESA-N 0 1 432.568 4.395 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000028207006 569242768 /nfs/dbraw/zinc/24/27/68/569242768.db2.gz PUHYMFADHDEIBB-KRWDZBQOSA-N 0 1 436.533 4.396 40 0 IIABMN Cc1ccc(Nc2nccc(C3CCC(CNC(=O)[C@@H](N)c4ccccc4)CC3)n2)nc1 ZINC000072380021 569250129 /nfs/dbraw/zinc/25/01/29/569250129.db2.gz AWZDZUJTWLMNDT-XWEVFREBSA-N 0 1 430.556 4.014 40 0 IIABMN Cc1ccc(C)c(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)c1 ZINC000105942397 569250276 /nfs/dbraw/zinc/25/02/76/569250276.db2.gz SDGGMHNIBIZFOQ-UHFFFAOYSA-N 0 1 433.331 4.287 40 0 IIABMN Cc1nc([C@H]2CCCN(CCOc3ccc(F)cc3)C2)ncc1C(=O)Nc1ccccc1 ZINC000019765130 569329052 /nfs/dbraw/zinc/32/90/52/569329052.db2.gz NJBQPKCAPKYESB-IBGZPJMESA-N 0 1 434.515 4.435 40 0 IIABMN COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3ccco3)nc(C)n2)cc1 ZINC000035415864 291383641 /nfs/dbraw/zinc/38/36/41/291383641.db2.gz ZZENEQHLPLKMPW-DSKINZAPSA-N 0 1 447.539 4.053 40 0 biogenic,in-vitro IIABMN COc1ccc(NC(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3ccco3)nc(C)n2)cc1 ZINC000035415864 291383644 /nfs/dbraw/zinc/38/36/44/291383644.db2.gz ZZENEQHLPLKMPW-DSKINZAPSA-N 0 1 447.539 4.053 40 0 biogenic,in-vitro IIABMN O=C(CSCc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000022509397 527022591 /nfs/dbraw/zinc/02/25/91/527022591.db2.gz DKGWCFGTXNKCHR-UHFFFAOYSA-N 0 1 447.969 4.408 40 0 IIABMN CCOc1ccc(S(=O)(=O)Nc2cc(C)ccc2OC)cc1NC(=O)c1ccccc1 ZINC000408559978 555899545 /nfs/dbraw/zinc/89/95/45/555899545.db2.gz NVVIBJWRFGGFOB-UHFFFAOYSA-N 0 1 440.521 4.455 40 0 IIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(C)c3)cc2)c(OC)c1 ZINC000408562666 555906054 /nfs/dbraw/zinc/90/60/54/555906054.db2.gz DZXRXTWBSRGNGK-UHFFFAOYSA-N 0 1 426.494 4.065 40 0 IIABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)cc3Cl)n2)cc1 ZINC000408637624 556015189 /nfs/dbraw/zinc/01/51/89/556015189.db2.gz LXTULLYXZNNVSR-UHFFFAOYSA-N 0 1 436.324 4.468 40 0 IIABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)cc1 ZINC000408639419 556016137 /nfs/dbraw/zinc/01/61/37/556016137.db2.gz WOMDKDZEWLUQMP-UHFFFAOYSA-N 0 1 435.431 4.180 40 0 IIABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccc(OCc2ccccc2)c([N+](=O)[O-])c1 ZINC000035352279 556080942 /nfs/dbraw/zinc/08/09/42/556080942.db2.gz OSMYUPTYCASJED-WOJGMQOQSA-N 0 1 447.403 4.269 40 0 IIABMN Cc1cc2c(cc1CN1CCC[C@@H]3CN(C(=O)c4cccc(C(F)(F)F)c4)C[C@@H]31)OCO2 ZINC000013226774 556499634 /nfs/dbraw/zinc/49/96/34/556499634.db2.gz MHTWWOIROATECU-XLIONFOSSA-N 0 1 446.469 4.479 40 0 IIABMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)c(C)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000100935299 556612071 /nfs/dbraw/zinc/61/20/71/556612071.db2.gz RHSRUBXZYIKUKT-SGNDLWITSA-N 0 1 428.488 4.363 40 0 IIABMN Nc1[nH]c(N2CCc3ccccc3C2)nc(=O)c1C(=S)Nc1ccc(Cl)c(Cl)c1 ZINC000040385585 556635739 /nfs/dbraw/zinc/63/57/39/556635739.db2.gz GZBZTKLKNLNYST-UHFFFAOYSA-N 0 1 446.363 4.009 40 0 IIABMN Cc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3nccc(C)n3)cc2)cc1 ZINC000044843873 556669183 /nfs/dbraw/zinc/66/91/83/556669183.db2.gz SSSMSLLYQDVWBH-INIZCTEOSA-N 0 1 442.566 4.014 40 0 IIABMN Cc1cc(C(=O)NC2CCN(Cc3cc(-c4ccc(F)cc4)nn3C)CC2)sc1C ZINC000019124766 556702859 /nfs/dbraw/zinc/70/28/59/556702859.db2.gz IWPXMBWHAOFAAC-UHFFFAOYSA-N 0 1 426.561 4.299 40 0 IIABMN COc1ccc(C)cc1CN1CCC([C@H](NC(=O)c2ccccn2)c2nccs2)CC1 ZINC000019133339 556705093 /nfs/dbraw/zinc/70/50/93/556705093.db2.gz XHDXTXPLVQBOOM-QFIPXVFZSA-N 0 1 436.581 4.238 40 0 IIABMN Cc1ccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)cc1 ZINC000019209731 556708372 /nfs/dbraw/zinc/70/83/72/556708372.db2.gz BBIKJUPRUVNFHI-XMMPIXPASA-N 0 1 448.611 4.478 40 0 IIABMN Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@@H+](C2CCCCC2)CC3)cc1 ZINC000019209758 556708871 /nfs/dbraw/zinc/70/88/71/556708871.db2.gz YFYVYJYFHUIIRS-DEOSSOPVSA-N 0 1 448.611 4.065 40 0 IIABMN Cc1ccc(CC(=O)N2CCCC[C@H]2c2nc3c(c(=O)[n-]2)C[N@H+](C2CCCCC2)CC3)cc1 ZINC000019209758 556708872 /nfs/dbraw/zinc/70/88/72/556708872.db2.gz YFYVYJYFHUIIRS-DEOSSOPVSA-N 0 1 448.611 4.065 40 0 IIABMN O=C1O[C@]2(CCN(Cc3ccccc3OCc3cccnc3)C2)CN1Cc1ccccc1 ZINC000257297847 556717165 /nfs/dbraw/zinc/71/71/65/556717165.db2.gz RIZVGMJUOMQSTA-SANMLTNESA-N 0 1 429.520 4.258 40 0 IIABMN Cc1cccc2c1[nH]c([C@H]1CCCN(C(=O)[C@@H](C)CN3CCOCC3)C1)c2-c1ccncc1 ZINC000019236509 556721300 /nfs/dbraw/zinc/72/13/00/556721300.db2.gz USHNZPHAQUHSDY-UNMCSNQZSA-N 0 1 446.595 4.213 40 0 IIABMN Cn1cc(-c2ccnc(N3CCCC3)n2)c([C@H]2CCCN(Cc3ccc(F)c(F)c3)C2)n1 ZINC000019290167 556730111 /nfs/dbraw/zinc/73/01/11/556730111.db2.gz FXSPLGUARXLNGI-SFHVURJKSA-N 0 1 438.526 4.135 40 0 IIABMN COc1ccc(NC(=O)CN2CCC(c3nc4ccc(Cl)cc4[nH]3)CC2)c(OC)c1 ZINC000001326370 556772225 /nfs/dbraw/zinc/77/22/25/556772225.db2.gz HQFDVCRCIRFBNE-UHFFFAOYSA-N 0 1 428.920 4.052 40 0 IIABMN CCOc1ccccc1C(=O)N1CCC(c2[nH]ncc2C(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000019520043 556775791 /nfs/dbraw/zinc/77/57/91/556775791.db2.gz BMKKWLXEIDYJHF-QZTJIDSGSA-N 0 1 438.572 4.231 40 0 IIABMN CCN1CCN(Cc2ccccc2OC)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000019527714 556787029 /nfs/dbraw/zinc/78/70/29/556787029.db2.gz SXPHEIJSNNYTAC-XMMPIXPASA-N 0 1 429.564 4.280 40 0 IIABMN CCOc1cc(CCC(=O)N2CCC(c3nc4ccccn4c3NC(C)(C)C)CC2)on1 ZINC000019532309 556792648 /nfs/dbraw/zinc/79/26/48/556792648.db2.gz BMBRWDPSAACJPA-UHFFFAOYSA-N 0 1 439.560 4.270 40 0 IIABMN COc1ccc(OC)c(CN2CCC(O)(Cn3c(C(F)(F)F)cc4cccnc43)CC2)c1 ZINC000019551450 556795624 /nfs/dbraw/zinc/79/56/24/556795624.db2.gz CGNKQHUMXFSEQM-UHFFFAOYSA-N 0 1 449.473 4.099 40 0 IIABMN CN(C)CC(=O)N1CCCC[C@@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000019581780 556819955 /nfs/dbraw/zinc/81/99/55/556819955.db2.gz HWJWBEZSAVORSQ-OAQYLSRUSA-N 0 1 434.519 4.037 40 0 IIABMN CCn1cc(CN2CCCC[C@H]2c2nc(N(C)C)ncc2-c2ccc(OC)cc2)c(C)n1 ZINC000019694344 556850137 /nfs/dbraw/zinc/85/01/37/556850137.db2.gz MPKGZYHROMUCOG-QHCPKHFHSA-N 0 1 434.588 4.470 40 0 IIABMN COc1ccc(CCC(=O)N2CCCC[C@H]2c2cc(C(F)(F)F)c3c(N)[nH]nc3n2)cc1 ZINC000019695536 556852150 /nfs/dbraw/zinc/85/21/50/556852150.db2.gz SCUSWTVGKFZDQZ-KRWDZBQOSA-N 0 1 447.461 4.254 40 0 IIABMN O=C(c1cccnc1)N1CCC[C@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000019703602 556861949 /nfs/dbraw/zinc/86/19/49/556861949.db2.gz NRMSHADXWPILPK-FQEVSTJZSA-N 0 1 430.430 4.422 40 0 IIABMN C=C1[NH+]=C(SCc2cccc(C(=O)[O-])c2)N[C@@H](c2ccccc2OC)C1C(=O)OCC ZINC000408869976 556874669 /nfs/dbraw/zinc/87/46/69/556874669.db2.gz USUOFDHDAFRQNF-FQEVSTJZSA-N 0 1 440.521 4.164 40 0 IIABMN Cc1ncc(CN2CCC(c3nc(C)c4c(n3)N(Cc3ccccc3)C(=O)CC4)CC2)s1 ZINC000019739369 556877677 /nfs/dbraw/zinc/87/76/77/556877677.db2.gz KHUYQPAYNNBPLW-UHFFFAOYSA-N 0 1 447.608 4.409 40 0 IIABMN CC(C)Nc1[nH]nc2nc([C@@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)c21 ZINC000019742341 556886135 /nfs/dbraw/zinc/88/61/35/556886135.db2.gz MYPSJOMTXYUDHC-CYBMUJFWSA-N 0 1 432.450 4.212 40 0 IIABMN COc1ccccc1CNc1[nH]nc2nc([C@H]3CCCN(C(=O)C4CCCC4)C3)ccc21 ZINC000019742779 556886918 /nfs/dbraw/zinc/88/69/18/556886918.db2.gz UEWUUGZCEGAVGT-IBGZPJMESA-N 0 1 433.556 4.475 40 0 IIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c1 ZINC000408924508 556892701 /nfs/dbraw/zinc/89/27/01/556892701.db2.gz JLMOLIWLWBPATH-UHFFFAOYSA-N 0 1 443.550 4.314 40 0 IIABMN COc1ccccc1/C=C/CN1CCC[C@H]([C@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000072337788 556910878 /nfs/dbraw/zinc/91/08/78/556910878.db2.gz HPDFJXXPPNBDQC-QLLCAIDHSA-N 0 1 448.592 4.443 40 0 IIABMN O=C(CN1CCC[C@@H](c2cncc(-c3cccc(C(F)(F)F)c3)n2)C1)N1CCCCC1 ZINC000072359370 556932499 /nfs/dbraw/zinc/93/24/99/556932499.db2.gz DEIAHEQWDJCRDB-GOSISDBHSA-N 0 1 432.490 4.354 40 0 IIABMN CN(C)C(=O)c1sc2ccccc2c1C[C@@H]1CCCCCN1CC(=O)N1CCCCC1 ZINC000072370703 556935965 /nfs/dbraw/zinc/93/59/65/556935965.db2.gz MIIFTRUJUPTFAB-IBGZPJMESA-N 0 1 441.641 4.403 40 0 IIABMN O=C(CN1CC[C@@H](c2cc(CCOc3ccc(Cl)cc3)n[nH]2)C1)Nc1ccc(F)cc1 ZINC000072371242 556937820 /nfs/dbraw/zinc/93/78/20/556937820.db2.gz JOJRYRXINVRWPJ-MRXNPFEDSA-N 0 1 442.922 4.252 40 0 IIABMN Cc1cc(C)nc(N2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)n1 ZINC000072371401 556938217 /nfs/dbraw/zinc/93/82/17/556938217.db2.gz YJONQRCTEZLCPZ-INIZCTEOSA-N 0 1 431.462 4.451 40 0 IIABMN Cc1nc(CC(=O)N2CC[C@@H](c3cc(CCOc4ccc(C(C)C)cc4)[nH]n3)C2)cs1 ZINC000072371602 556939883 /nfs/dbraw/zinc/93/98/83/556939883.db2.gz HSQRTEPELGMBIA-LJQANCHMSA-N 0 1 438.597 4.478 40 0 IIABMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC(c2ccc(Nc3ncccn3)cn2)CC1 ZINC000072374285 556947607 /nfs/dbraw/zinc/94/76/07/556947607.db2.gz BSDCWNFEXVAIBC-UHFFFAOYSA-N 0 1 444.583 4.232 40 0 IIABMN COc1cccc(CC(=O)N2CCC[C@H]2c2ccc3c(n[nH]c3NCc3ccccc3)n2)c1 ZINC000072374516 556948198 /nfs/dbraw/zinc/94/81/98/556948198.db2.gz LLZLVQWYHDJXEJ-QHCPKHFHSA-N 0 1 441.535 4.485 40 0 IIABMN Cc1csc(Nc2cccc([C@@H]3CCCN3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)n1 ZINC000072375655 556952183 /nfs/dbraw/zinc/95/21/83/556952183.db2.gz VBLXFFOGBQINFL-SFHVURJKSA-N 0 1 434.569 4.118 40 0 IIABMN COc1ccccc1/C=C/CN1CCC([C@@H](NC(=O)c2ccccn2)c2nccs2)CC1 ZINC000072394623 556966191 /nfs/dbraw/zinc/96/61/91/556966191.db2.gz JYKKCJZZRBWTJZ-AVAOGFIGSA-N 0 1 448.592 4.443 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCCN2C(=O)c1ccccc1 ZINC000020765743 557127486 /nfs/dbraw/zinc/12/74/86/557127486.db2.gz HNMCQOTWHVRXEH-UHFFFAOYSA-N 0 1 436.533 4.397 40 0 IIABMN Cc1ccc([N-]S(=O)(=O)c2cc(C(=O)NCCC[NH+]3CCCCC3)ccc2C)c(C)c1 ZINC000010112044 557204562 /nfs/dbraw/zinc/20/45/62/557204562.db2.gz BYTAWGGGAFYRDW-UHFFFAOYSA-N 0 1 443.613 4.018 40 0 IIABMN Cc1ccc(Nc2nccc([C@H]3CC[C@H](CNC(=O)[C@H](N)c4ccccc4)CC3)n2)nc1 ZINC000100708877 557270655 /nfs/dbraw/zinc/27/06/55/557270655.db2.gz AWZDZUJTWLMNDT-SELNLUPBSA-N 0 1 430.556 4.014 40 0 IIABMN Cc1ccc2c(c1)nnn2C1CCN(CC(=O)NC(c2ccccc2)c2ccccc2)CC1 ZINC000013561720 557352046 /nfs/dbraw/zinc/35/20/46/557352046.db2.gz JFUWNIHDEVVRLK-UHFFFAOYSA-N 0 1 439.563 4.282 40 0 IIABMN COc1ccc([C@H]2C(C)=Nc3ccccc3N=C2NC(=O)CN2CCC(C)CC2)cc1OC ZINC000014608058 557448280 /nfs/dbraw/zinc/44/82/80/557448280.db2.gz WGDFZIKTADRXNA-RUZDIDTESA-N 0 1 448.567 4.472 40 0 IIABMN CCOc1ccccc1NS(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 ZINC000026118277 557449215 /nfs/dbraw/zinc/44/92/15/557449215.db2.gz KVXDMKDLBQAGLR-UHFFFAOYSA-N 0 1 448.610 4.480 40 0 IIABMN COc1ccc(C(=O)OC(C)C)cc1NS(=O)(=O)c1ccc2c(c1)CCC(C)(C)O2 ZINC000223668768 557499717 /nfs/dbraw/zinc/49/97/17/557499717.db2.gz LXJHLJJBMXGQKS-UHFFFAOYSA-N 0 1 433.526 4.165 40 0 IIABMN CN1CCN(c2ccc(NC(=S)NCC3(c4ccc(Cl)cc4)CCCC3)cn2)CC1 ZINC000223979037 557538364 /nfs/dbraw/zinc/53/83/64/557538364.db2.gz VOKBLYUTUGNHFR-UHFFFAOYSA-N 0 1 444.048 4.285 40 0 IIABMN COc1ccc(NC(=O)N2Cc3[nH]cnc3C[C@H]2c2nc(-c3ccc(C)cc3)no2)cc1 ZINC000015675812 560094911 /nfs/dbraw/zinc/09/49/11/560094911.db2.gz UYILZCZEUNMQRO-FQEVSTJZSA-N 0 1 430.468 4.108 40 0 biogenic,in-vitro IIABMN COc1cccc(Nc2cc(C)nc([C@H]3CCCN(CC(=O)Nc4cc(C)on4)C3)c2)c1 ZINC000257218942 568673817 /nfs/dbraw/zinc/67/38/17/568673817.db2.gz DEYPYWVASNJKFR-SFHVURJKSA-N 0 1 435.528 4.257 40 0 IIABMN CC(C)C[C@]1(O)CCN(C(=O)c2cc(-c3ccccc3)[nH]n2)C[C@@H]1Oc1ccc(F)cc1 ZINC000257226374 568677389 /nfs/dbraw/zinc/67/73/89/568677389.db2.gz FKJWYKTWKOMPKI-UKILVPOCSA-N 0 1 437.515 4.287 40 0 IIABMN CC(=O)N1[C@@H]2CCC[C@@H]3[N@@H+](Cc4ccccc4C(=O)[O-])[C@@H](C[C@@]32C)[C@@H]1Cc1ccccc1 ZINC000257236726 568682180 /nfs/dbraw/zinc/68/21/80/568682180.db2.gz HDLXGXOXUZLIAZ-WOKGGPCBSA-N 0 1 432.564 4.360 40 0 IIABMN Cc1cc(Nc2ccc(F)cn2)cc([C@H]2CCN(C(=O)c3n[nH]c4c3CCCCC4)C2)n1 ZINC000257241730 568684524 /nfs/dbraw/zinc/68/45/24/568684524.db2.gz HZJSSFYKMUBTOD-INIZCTEOSA-N 0 1 434.519 4.289 40 0 IIABMN CN(C(=O)c1cn[nH]c1[C@H]1CCCCN1C(=O)CCCc1ccncc1)C1CCCCC1 ZINC000257276004 568700186 /nfs/dbraw/zinc/70/01/86/568700186.db2.gz NRYULNAGKLMLNY-JOCHJYFZSA-N 0 1 437.588 4.286 40 0 IIABMN CN(Cc1ccccc1)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CCc2ccccc2F)C1 ZINC000257335094 568726645 /nfs/dbraw/zinc/72/66/45/568726645.db2.gz YIQODSMKGKQBRF-OAQYLSRUSA-N 0 1 448.542 4.160 40 0 IIABMN COc1cc(C)ccc1CN1CCO[C@H](c2cc(CCOc3ccccc3F)[nH]n2)C1 ZINC000257339715 568728419 /nfs/dbraw/zinc/72/84/19/568728419.db2.gz ZCWWADWXKPQJRU-DEOSSOPVSA-N 0 1 425.504 4.061 40 0 IIABMN COc1cc(CN2CCC[C@@H]2c2cc(Cc3ccccc3)cc(C)n2)ccc1OCC(N)=O ZINC000019691929 569227805 /nfs/dbraw/zinc/22/78/05/569227805.db2.gz BKGHCMGZAQGRGK-XMMPIXPASA-N 0 1 445.563 4.191 40 0 IIABMN COc1cccc(-c2cnc(N(C)C)nc2[C@H]2CCN(Cc3cnc(C(C)C)nc3)C2)c1 ZINC000019695063 569229535 /nfs/dbraw/zinc/22/95/35/569229535.db2.gz GNDQUTRNFSXBKA-FQEVSTJZSA-N 0 1 432.572 4.121 40 0 IIABMN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCN(Cc3cnc(C(C)C)nc3)C2)c1 ZINC000019695062 569229555 /nfs/dbraw/zinc/22/95/55/569229555.db2.gz GNDQUTRNFSXBKA-HXUWFJFHSA-N 0 1 432.572 4.121 40 0 IIABMN COc1ccc(-c2nc(C3CCN(Cc4ccc(Cl)c(F)c4)CC3)[nH]c2C(N)=O)cc1 ZINC000019697001 569229919 /nfs/dbraw/zinc/22/99/19/569229919.db2.gz SAMYBTWTLBKPFB-UHFFFAOYSA-N 0 1 442.922 4.356 40 0 IIABMN Cc1cccc(C2(C(=O)N3CC[C@H](c4ccc5c(n[nH]c5NC(C)C)n4)C3)CCOCC2)c1 ZINC000019705079 569233750 /nfs/dbraw/zinc/23/37/50/569233750.db2.gz ALIUMWMCMDLLJW-IBGZPJMESA-N 0 1 447.583 4.151 40 0 IIABMN Cc1ccc(C(C)(C)C(=O)N2CC[C@@H](c3ccc4c(n[nH]c4NC4CCOCC4)n3)C2)cc1 ZINC000019705096 569233971 /nfs/dbraw/zinc/23/39/71/569233971.db2.gz PPIWSJIYBLNKGK-GOSISDBHSA-N 0 1 447.583 4.151 40 0 IIABMN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)c3cccc(-c4nnc[nH]4)c3)c2)C1 ZINC000019712236 569327700 /nfs/dbraw/zinc/32/77/00/569327700.db2.gz WWFPCZWQHHGAPB-ZLNRFVROSA-N 0 1 447.539 4.105 40 0 IIABMN Cc1nc([C@@H]2CCCN(CCOc3ccc(F)cc3)C2)ncc1C(=O)NCc1ccccc1 ZINC000019763477 569328858 /nfs/dbraw/zinc/32/88/58/569328858.db2.gz JNUXRQPOUFBZGE-OAQYLSRUSA-N 0 1 448.542 4.113 40 0 IIABMN Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3ccccn3)cc2)c1 ZINC000020456593 524394518 /nfs/dbraw/zinc/39/45/18/524394518.db2.gz YNAMCEDWKFVEHL-UHFFFAOYSA-N 0 1 441.578 4.371 40 0 IIABMN COc1ccc(Nc2cc(C)nc([C@@H]3CCCN(CC(=O)Nc4cnn(C)c4C)C3)c2)cc1 ZINC000072352030 524714101 /nfs/dbraw/zinc/71/41/01/524714101.db2.gz CZQNRCQFHMGXCI-LJQANCHMSA-N 0 1 448.571 4.002 40 0 IIABMN C[C@]12CC[C@@H]3c4cc(Br)c(O)c(Br)c4CC[C@H]3[C@@H]1C[C@@H](O)C2=O ZINC000022056944 525351288 /nfs/dbraw/zinc/35/12/88/525351288.db2.gz JTPNAPKUXFXZOQ-GYYZZVMYSA-N 0 1 444.163 4.313 40 0 in-vitro IIABMN O=C([O-])C1(c2ccccc2)CC[NH+](CC(=O)Nc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000408545826 555790781 /nfs/dbraw/zinc/79/07/81/555790781.db2.gz AKINVIHXYLQGRX-UHFFFAOYSA-N 0 1 440.849 4.416 40 0 IIABMN CCN(C(=O)CSc1nc(-c2cc(Br)ccc2O)n[nH]1)c1ccccc1 ZINC000408543326 555790813 /nfs/dbraw/zinc/79/08/13/555790813.db2.gz NZDCMHGMXOWWAT-UHFFFAOYSA-N 0 1 433.331 4.085 40 0 IIABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)c3ccc(Br)cc3)n2)c1 ZINC000408638605 556015850 /nfs/dbraw/zinc/01/58/50/556015850.db2.gz STAPXFHMCOTAPP-UHFFFAOYSA-N 0 1 431.315 4.168 40 0 IIABMN CC(=O)Nc1ccc(-c2n[nH]c(SCC(=O)c3ccc(Br)cc3)n2)cc1 ZINC000408637478 556020810 /nfs/dbraw/zinc/02/08/10/556020810.db2.gz KYINZSMBOGASQL-UHFFFAOYSA-N 0 1 431.315 4.168 40 0 IIABMN COc1cc(C(=O)N2CCC(c3nc4ccc(F)cn4c3NC(C)(C)C)CC2)ccn1 ZINC000012087501 556400541 /nfs/dbraw/zinc/40/05/41/556400541.db2.gz RKTMUEJAYWUPIG-UHFFFAOYSA-N 0 1 425.508 4.107 40 0 IIABMN O=C(NC(=S)Nc1cc(Br)c(O)c(Br)c1)c1cccc(F)c1 ZINC000032116624 556532450 /nfs/dbraw/zinc/53/24/50/556532450.db2.gz CWYVZGUNWMWCRO-UHFFFAOYSA-N 0 1 448.111 4.183 40 0 IIABMN COc1ccc([C@H]2c3c(O)n(-c4ccc(Cl)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000100799130 556591148 /nfs/dbraw/zinc/59/11/48/556591148.db2.gz OJWSVBCPLATMAB-FKBYEOEOSA-N 0 1 434.879 4.400 40 0 IIABMN COc1ccc(S[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000038756703 556618349 /nfs/dbraw/zinc/61/83/49/556618349.db2.gz VMTSDQYOKJCQKT-HNNXBMFYSA-N 0 1 443.550 4.010 40 0 IIABMN COc1ccc(N2Oc3c(O)n(-c4ccc(Cl)cc4)c(O)c3[C@@H]2c2ccccc2)cc1 ZINC000013617678 556704081 /nfs/dbraw/zinc/70/40/81/556704081.db2.gz BFWHVTSVWUKBED-BHIFYINESA-N 0 1 434.879 4.400 40 0 IIABMN Cc1cccc(CC(=O)N2CCCC[C@@H]2c2nc3c(c(=O)[nH]2)CCN(C2CCCCC2)C3)c1 ZINC000019234759 556719039 /nfs/dbraw/zinc/71/90/39/556719039.db2.gz CVTGEJFOWRTGBO-XMMPIXPASA-N 0 1 448.611 4.478 40 0 IIABMN O=C(Cc1cccs1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CCN(C1CCCCC1)C2 ZINC000019343219 556741143 /nfs/dbraw/zinc/74/11/43/556741143.db2.gz VKXYWTTWDUWZFC-NRFANRHFSA-N 0 1 440.613 4.231 40 0 IIABMN COc1cccc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000095483663 556757264 /nfs/dbraw/zinc/75/72/64/556757264.db2.gz YCFGGOFKEXXIIW-SGNDLWITSA-N 0 1 428.488 4.363 40 0 IIABMN CNC(=O)[C@@]1(Cc2cccc(-c3cccs3)c2)CCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000019451727 556762544 /nfs/dbraw/zinc/76/25/44/556762544.db2.gz GPFOBQMEKPBSNZ-XMMPIXPASA-N 0 1 436.581 4.083 40 0 IIABMN CC(C)c1nc(C[C@@H](NC(=O)Cc2nc3ccc(Cl)cc3[nH]2)c2ccccc2)cc(=O)[nH]1 ZINC000019453550 556764268 /nfs/dbraw/zinc/76/42/68/556764268.db2.gz BYVCVEXXZVBYTK-LJQANCHMSA-N 0 1 449.942 4.066 40 0 IIABMN Cc1ccc2nc(C3CCN(CC(=O)Nc4ccc(Br)cc4)CC3)[nH]c2c1 ZINC000001358937 556785925 /nfs/dbraw/zinc/78/59/25/556785925.db2.gz MICRCDVERGWOHJ-UHFFFAOYSA-N 0 1 427.346 4.452 40 0 IIABMN Cc1ccc2n[nH]c(C(=O)N3CCC(c4ccc(-c5ccc(C(N)=O)cc5)cn4)CC3)c2c1 ZINC000019687809 556842196 /nfs/dbraw/zinc/84/21/96/556842196.db2.gz VTKQXEIIZMZAKS-UHFFFAOYSA-N 0 1 439.519 4.052 40 0 IIABMN O=C(Cc1ccncc1)N1CCC[C@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019695665 556852342 /nfs/dbraw/zinc/85/23/42/556852342.db2.gz XRBBYILZACZRCL-IBGZPJMESA-N 0 1 444.514 4.053 40 0 IIABMN Cc1nc([C@@H]2CCCN(Cc3cccnc3)C2)nc2c1CCC(=O)N2Cc1ccccc1F ZINC000019695798 556852629 /nfs/dbraw/zinc/85/26/29/556852629.db2.gz NWUKRZBEGDHGKF-OAQYLSRUSA-N 0 1 445.542 4.178 40 0 IIABMN Cc1ccc(O[C@@H](C)C(=O)N2CCC(c3cc(C(F)(F)F)c4c(N)[nH]nc4n3)CC2)cc1 ZINC000019744946 556891825 /nfs/dbraw/zinc/89/18/25/556891825.db2.gz BPJNVBOHASUFKA-ZDUSSCGKSA-N 0 1 447.461 4.041 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc(NC(=O)COc2ccccc2C)cc1 ZINC000408922545 556892164 /nfs/dbraw/zinc/89/21/64/556892164.db2.gz CACLKSPCTBMDOG-UHFFFAOYSA-N 0 1 440.521 4.130 40 0 IIABMN CCn1cncc1CN1CCC2(C[C@@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000072327247 556903974 /nfs/dbraw/zinc/90/39/74/556903974.db2.gz UWDOKVVNCOFTTI-DEOSSOPVSA-N 0 1 437.975 4.423 40 0 IIABMN CCn1cncc1CN1CCC2(C[C@]3(CO2)Nc2cc(Cl)ccc2-n2cccc23)CC1 ZINC000072327246 556904046 /nfs/dbraw/zinc/90/40/46/556904046.db2.gz UWDOKVVNCOFTTI-XMMPIXPASA-N 0 1 437.975 4.423 40 0 IIABMN Cc1nc(C2=CCN(Cc3ccc(C(F)(F)F)cc3)CC2)nc(N2CCOCC2)c1C ZINC000072339541 556911725 /nfs/dbraw/zinc/91/17/25/556911725.db2.gz KOQPZFYYGLYSIP-UHFFFAOYSA-N 0 1 432.490 4.238 40 0 IIABMN O=C(c1ccccn1)N1CC[C@@H](c2cc(CCOc3cccc(C(F)(F)F)c3)[nH]n2)C1 ZINC000072371288 556937731 /nfs/dbraw/zinc/93/77/31/556937731.db2.gz WSGHVEJNYZPFGE-OAHLLOKOSA-N 0 1 430.430 4.075 40 0 IIABMN COc1ccc(OCCc2cc([C@H]3CCN(C(=O)Cc4c[nH]c5ccccc45)C3)n[nH]2)cc1 ZINC000072371404 556938517 /nfs/dbraw/zinc/93/85/17/556938517.db2.gz YAPLXJUGZRUXKY-SFHVURJKSA-N 0 1 444.535 4.080 40 0 IIABMN Cc1cc(N2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)n[nH]3)C2)nc(C)n1 ZINC000072371421 556938746 /nfs/dbraw/zinc/93/87/46/556938746.db2.gz KNAFBIYWZNKHPF-INIZCTEOSA-N 0 1 431.462 4.451 40 0 IIABMN Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(CCOc4cccc(C(F)(F)F)c4)[nH]n3)C2)o1 ZINC000072371539 556939465 /nfs/dbraw/zinc/93/94/65/556939465.db2.gz OWOAREZNENAVNQ-HNNXBMFYSA-N 0 1 448.445 4.285 40 0 IIABMN CCn1ccnc1CN1CC[C@H](c2cc(CCOc3cccc(C(F)(F)F)c3)n[nH]2)C1 ZINC000072371755 556940947 /nfs/dbraw/zinc/94/09/47/556940947.db2.gz VYHIJSNTVALIBD-INIZCTEOSA-N 0 1 433.478 4.256 40 0 IIABMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC(c2ccc(Nc3cnccn3)cn2)CC1 ZINC000072374286 556947704 /nfs/dbraw/zinc/94/77/04/556947704.db2.gz IGEGMFMYLKHAEI-UHFFFAOYSA-N 0 1 444.583 4.232 40 0 IIABMN Cc1cc(Nc2cnccn2)cc([C@H]2CCCN(C(=O)COc3c(C)cccc3C)C2)n1 ZINC000072374999 556950047 /nfs/dbraw/zinc/95/00/47/556950047.db2.gz BYDIYULBSKPCNZ-FQEVSTJZSA-N 0 1 431.540 4.325 40 0 IIABMN CCOC(=O)[C@@]1(Cc2cc(-c3ccc(C)cc3)no2)CCCN(Cc2cnc(C)n2C)C1 ZINC000072394073 556965696 /nfs/dbraw/zinc/96/56/96/556965696.db2.gz DZHMNSVQUMSABO-RUZDIDTESA-N 0 1 436.556 4.080 40 0 IIABMN Cc1cc2c(cc1CN1CCC([C@@H](NC(=O)C(C)(C)C)c3nccs3)CC1)OCO2 ZINC000072394595 556965921 /nfs/dbraw/zinc/96/59/21/556965921.db2.gz XGMNGQROPJGUEX-HXUWFJFHSA-N 0 1 429.586 4.296 40 0 IIABMN Cc1noc(C)c1C(=O)N1CCC[C@@]2(C1)CN(C(C)C)Cc1c(-c3ccccc3)ncn12 ZINC000585106711 557040772 /nfs/dbraw/zinc/04/07/72/557040772.db2.gz GKAHYZXKQDLOCF-RUZDIDTESA-N 0 1 433.556 4.010 40 0 IIABMN O=C(NC[C@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12)c1cccs1 ZINC000585110046 557042567 /nfs/dbraw/zinc/04/25/67/557042567.db2.gz ATQIMSHMHQZXCZ-RTWAWAEBSA-N 0 1 431.561 4.172 40 0 IIABMN CCCc1ncc(CN2CCC(Cc3nc(C)cc(Nc4ncc(C)s4)n3)CC2)cn1 ZINC000585263599 557204376 /nfs/dbraw/zinc/20/43/76/557204376.db2.gz SBFMDIJMAAQUMX-UHFFFAOYSA-N 0 1 437.617 4.491 40 0 IIABMN COC1(COc2cccc(Cl)c2)CCN(CC(=O)NC(C)(C)Cc2ccccc2)CC1 ZINC000585271796 557216274 /nfs/dbraw/zinc/21/62/74/557216274.db2.gz CVGANJGNHGNZFD-UHFFFAOYSA-N 0 1 445.003 4.337 40 0 IIABMN Cc1cc(S(=O)(=O)Nc2cc(Cl)ccc2C)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585933 557355987 /nfs/dbraw/zinc/35/59/87/557355987.db2.gz CDUDQCPDEWYRLL-UHFFFAOYSA-N 0 1 438.958 4.105 40 0 IIABMN COC(=O)c1ccc(Cl)c(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)c1 ZINC000014137175 557423033 /nfs/dbraw/zinc/42/30/33/557423033.db2.gz FZQDHTNHDGOYHO-UHFFFAOYSA-N 0 1 437.308 4.296 40 0 IIABMN O=c1cc(-c2ccc(F)cc2)nc(N2CCN(C(c3ccccc3)c3ccccc3)CC2)[nH]1 ZINC000014606944 557447269 /nfs/dbraw/zinc/44/72/69/557447269.db2.gz SEGQAMNTWKMRHV-UHFFFAOYSA-N 0 1 440.522 4.488 40 0 IIABMN CC(C)c1ccc(-c2noc(CNS(=O)(=O)c3ccc(Br)s3)n2)cc1 ZINC000223575204 557487690 /nfs/dbraw/zinc/48/76/90/557487690.db2.gz AOIMBEZBHMDYOT-UHFFFAOYSA-N 0 1 442.360 4.163 40 0 IIABMN O=C(NCC1(c2ccccc2)CCOCC1)C1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000225289553 557709276 /nfs/dbraw/zinc/70/92/76/557709276.db2.gz SYGCBXYOUNIPPQ-UHFFFAOYSA-N 0 1 426.988 4.417 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225740751 557771266 /nfs/dbraw/zinc/77/12/66/557771266.db2.gz SFHSAUVHYBASOX-UHFFFAOYSA-N 0 1 440.546 4.229 40 0 IIABMN COc1ccc(Br)cc1S(=O)(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000033447180 557807799 /nfs/dbraw/zinc/80/77/99/557807799.db2.gz DFCYPMYJBMKYKU-UHFFFAOYSA-N 0 1 425.348 4.249 40 0 IIABMN COc1ccccc1N1CCN(CCc2ccc3c(Br)ccc(O)c3n2)CC1 ZINC000059474715 557824445 /nfs/dbraw/zinc/82/44/45/557824445.db2.gz WRJHJHHZPJICOF-UHFFFAOYSA-N 0 1 442.357 4.076 40 0 IIABMN CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@@H+](Cc3ccc(OC)c(C)c3C)C2)nc1C ZINC000257236842 568682152 /nfs/dbraw/zinc/68/21/52/568682152.db2.gz HDZZKYINPLIVCK-JOCHJYFZSA-N 0 1 438.616 4.119 40 0 IIABMN CC(C)N(C(=O)CN1CCC(c2cccc(Nc3ncccn3)n2)CC1)C1CCCCC1 ZINC000257243573 568685449 /nfs/dbraw/zinc/68/54/49/568685449.db2.gz IHPLIFCNEAYUAS-UHFFFAOYSA-N 0 1 436.604 4.364 40 0 IIABMN Cc1nc([C@@H]2CCCN(Cc3cccnc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257250002 568688788 /nfs/dbraw/zinc/68/87/88/568688788.db2.gz JKOVSXISKMEJLD-HXUWFJFHSA-N 0 1 433.531 4.188 40 0 IIABMN CC(C)N(Cc1ccccc1)C(=O)CN1CCC(c2cccc(Nc3ncccn3)n2)CC1 ZINC000257268884 568697018 /nfs/dbraw/zinc/69/70/18/568697018.db2.gz MNQRICWFEUHFCF-UHFFFAOYSA-N 0 1 444.583 4.232 40 0 IIABMN FC(F)(F)c1ccc(OCCc2cc([C@H]3CN(Cc4ccccn4)CCO3)n[nH]2)cc1 ZINC000257275317 568699878 /nfs/dbraw/zinc/69/98/78/568699878.db2.gz NOVXNFDUVZOYAO-OAQYLSRUSA-N 0 1 432.446 4.019 40 0 IIABMN Cc1cc(Nc2ccc(F)cn2)cc([C@@H]2CCN(S(=O)(=O)c3ccc(C)c(F)c3)C2)n1 ZINC000257288700 568706307 /nfs/dbraw/zinc/70/63/07/568706307.db2.gz PVFMRJCCVYMFFP-MRXNPFEDSA-N 0 1 444.507 4.293 40 0 IIABMN CCCCc1ncc(CN2CCN(CC)C(=O)[C@H](Cc3ccccc3-c3cccnc3)C2)[nH]1 ZINC000257334254 568726273 /nfs/dbraw/zinc/72/62/73/568726273.db2.gz YFEBPZMZIHNDCN-HSZRJFAPSA-N 0 1 445.611 4.337 40 0 IIABMN Cc1nc2ccccn2c1CC(=O)N1CCC[C@@H](c2cc(Nc3nccs3)cc(C)n2)C1 ZINC000257338157 568727858 /nfs/dbraw/zinc/72/78/58/568727858.db2.gz YWENRNCCOKJGFL-GOSISDBHSA-N 0 1 446.580 4.495 40 0 IIABMN O=C1N(Cc2ccccc2)CCO[C@]12CN(Cc1ccc(Cl)cc1)C[C@@H]2c1cccnc1 ZINC000306130528 568766190 /nfs/dbraw/zinc/76/61/90/568766190.db2.gz JIXJFMVXUNTGMK-RSXGOPAZSA-N 0 1 447.966 4.132 40 0 IIABMN CCn1cc(CN2CCC[C@@H](c3nc4ccc(-c5cc(F)ccc5OC)cn4n3)C2)cn1 ZINC000306134662 568768628 /nfs/dbraw/zinc/76/86/28/568768628.db2.gz NUWNNXLQIMMGBH-LJQANCHMSA-N 0 1 434.519 4.140 40 0 IIABMN Cc1nc([C@@]2(O)CCCN(Cc3ccccn3)CC2)sc1CCOc1ccccc1F ZINC000019696260 569229685 /nfs/dbraw/zinc/22/96/85/569229685.db2.gz NQUVRFUNWPQMJY-XMMPIXPASA-N 0 1 441.572 4.481 40 0 IIABMN Cc1nc([C@@]2(O)CCCN(Cc3ccccn3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704900 569233759 /nfs/dbraw/zinc/23/37/59/569233759.db2.gz CQQMLRFICJOFOY-XMMPIXPASA-N 0 1 441.572 4.481 40 0 IIABMN CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)cc1 ZINC000018091268 569284725 /nfs/dbraw/zinc/28/47/25/569284725.db2.gz DEFJWDXEEOVJRK-SGNDLWITSA-N 0 1 441.487 4.005 40 0 IIABMN COc1ccc([C@H]2c3c(O)n(-c4cccc(Cl)c4)c(O)c3ON2c2ccccc2)cc1 ZINC000012017306 569303525 /nfs/dbraw/zinc/30/35/25/569303525.db2.gz IUBITZYLXRRGMJ-FKBYEOEOSA-N 0 1 434.879 4.400 40 0 IIABMN CC1(C)[C@H](Cc2cc(CN3CCOCC3)on2)C[C@@H]1N(Cc1ccco1)Cc1ccco1 ZINC000072320745 291380311 /nfs/dbraw/zinc/38/03/11/291380311.db2.gz REHJNFILPXNZNN-DVECYGJZSA-N 0 1 439.556 4.352 40 0 biogenic,in-vitro IIABMN Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CC[N@H+]2C[C@@H]3c2cc(-c3cccs3)nc(C)n2)cc1 ZINC000008623085 291384955 /nfs/dbraw/zinc/38/49/55/291384955.db2.gz IDUKFJMLLPLCKW-HBMCJLEFSA-N 0 1 432.593 4.430 40 0 biogenic,in-vitro IIABMN Cc1ccc(C(=O)NC[C@H]2C[C@@H]3CCN2C[C@@H]3c2cc(-c3cccs3)nc(C)n2)cc1 ZINC000008623085 291384958 /nfs/dbraw/zinc/38/49/58/291384958.db2.gz IDUKFJMLLPLCKW-HBMCJLEFSA-N 0 1 432.593 4.430 40 0 biogenic,in-vitro IIABMN CCOC(=O)C1=C(C)Nc2sc(C(=O)Nc3cc(C)on3)c(N)c2[C@H]1c1cccs1 ZINC000012412691 520506751 /nfs/dbraw/zinc/50/67/51/520506751.db2.gz HVCLBBYYWWKYRQ-AWEZNQCLSA-N 0 1 444.538 4.335 40 0 IIABMN Cc1cc(NCc2cc(-c3ccc(F)cc3)c[nH]c2=O)ccc1NC(=O)CN1CCCC1 ZINC000012144076 525277377 /nfs/dbraw/zinc/27/73/77/525277377.db2.gz PZATUGIVBAQHDA-UHFFFAOYSA-N 0 1 434.515 4.136 40 0 IIABMN C[C@@H](Oc1ccc2ccccc2c1)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000020454578 525933608 /nfs/dbraw/zinc/93/36/08/525933608.db2.gz QLUGQFLNVNLUDZ-QGZVFWFLSA-N 0 1 447.516 4.442 40 0 IIABMN COc1ccc(Cl)cc1C(=O)N1CC[NH+]([C@@H](CCC(=O)[O-])c2ccc(C)cc2)CC1 ZINC000408603913 555972972 /nfs/dbraw/zinc/97/29/72/555972972.db2.gz CBMVFCBZSAAVBJ-FQEVSTJZSA-N 0 1 430.932 4.021 40 0 IIABMN Cc1ccc(S(=O)(=O)[N-]c2cc(C(=O)NCCC[NH+]3CCCCCC3)ccc2C)cc1 ZINC000013648855 556545087 /nfs/dbraw/zinc/54/50/87/556545087.db2.gz KFTKQAHXTTXMNG-UHFFFAOYSA-N 0 1 443.613 4.100 40 0 IIABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1Cc1nc2cnccc2[nH]1 ZINC000514288604 556625159 /nfs/dbraw/zinc/62/51/59/556625159.db2.gz JBJJBLSIBNRHNK-HOCLYGCPSA-N 0 1 448.445 4.012 40 0 biogenic,in-vitro IIABMN O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1Cc1nc2ccncc2[nH]1 ZINC000514288604 556625162 /nfs/dbraw/zinc/62/51/62/556625162.db2.gz JBJJBLSIBNRHNK-HOCLYGCPSA-N 0 1 448.445 4.012 40 0 biogenic,in-vitro IIABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1Cc1nc2ccncc2[nH]1 ZINC000514288604 556625165 /nfs/dbraw/zinc/62/51/65/556625165.db2.gz JBJJBLSIBNRHNK-HOCLYGCPSA-N 0 1 448.445 4.012 40 0 biogenic,in-vitro IIABMN O=C([O-])C[C@@H]1CC[N@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514288604 556625166 /nfs/dbraw/zinc/62/51/66/556625166.db2.gz JBJJBLSIBNRHNK-HOCLYGCPSA-N 0 1 448.445 4.012 40 0 biogenic,in-vitro IIABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514288604 556625169 /nfs/dbraw/zinc/62/51/69/556625169.db2.gz JBJJBLSIBNRHNK-HOCLYGCPSA-N 0 1 448.445 4.012 40 0 biogenic,in-vitro IIABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1Cc1nc2ccncc2[nH]1 ZINC000514289323 556625785 /nfs/dbraw/zinc/62/57/85/556625785.db2.gz QCNPHVQTVFHFCS-HOTGVXAUSA-N 0 1 432.446 4.132 40 0 biogenic,in-vitro IIABMN O=C([O-])C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1Cc1nc2cnccc2[nH]1 ZINC000514289323 556625789 /nfs/dbraw/zinc/62/57/89/556625789.db2.gz QCNPHVQTVFHFCS-HOTGVXAUSA-N 0 1 432.446 4.132 40 0 biogenic,in-vitro IIABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1Cc1nc2cnccc2[nH]1 ZINC000514289323 556625791 /nfs/dbraw/zinc/62/57/91/556625791.db2.gz QCNPHVQTVFHFCS-HOTGVXAUSA-N 0 1 432.446 4.132 40 0 biogenic,in-vitro IIABMN O=C([O-])C[C@@H]1CC[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514289323 556625795 /nfs/dbraw/zinc/62/57/95/556625795.db2.gz QCNPHVQTVFHFCS-HOTGVXAUSA-N 0 1 432.446 4.132 40 0 biogenic,in-vitro IIABMN O=C([O-])C[C@@H]1CC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@@H]1Cc1nc2cc[nH]cc-2n1 ZINC000514289323 556625798 /nfs/dbraw/zinc/62/57/98/556625798.db2.gz QCNPHVQTVFHFCS-HOTGVXAUSA-N 0 1 432.446 4.132 40 0 biogenic,in-vitro IIABMN CC[C@H](Oc1cccc(Cl)c1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1 ZINC000044886110 556675585 /nfs/dbraw/zinc/67/55/85/556675585.db2.gz HLFGFSKBKKPKIF-IBGZPJMESA-N 0 1 445.928 4.332 40 0 IIABMN O=C(CCc1ccccc1)N1CCO[C@@H](c2cc(CCOc3cccc(Cl)c3)[nH]n2)C1 ZINC000257209439 556702331 /nfs/dbraw/zinc/70/23/31/556702331.db2.gz BQJHJMUEAAGRAJ-HSZRJFAPSA-N 0 1 439.943 4.217 40 0 IIABMN O=C(CC1CCCC1)N1CCCC[C@H]1c1nc2c(c(=O)[nH]1)CN(Cc1cccs1)CC2 ZINC000019343576 556741380 /nfs/dbraw/zinc/74/13/80/556741380.db2.gz DIEPDINKCLUDTF-NRFANRHFSA-N 0 1 440.613 4.024 40 0 IIABMN CC(C)[C@@H]1C[C@H](C(F)(F)F)n2nc([C@H]3CCN(CC(=O)N(C(C)C)C(C)C)C3)cc2N1 ZINC000019451383 556762063 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FROMKNRLIOOLMO-FQEVSTJZSA-N 0 1 443.555 4.185 40 0 IIABMN CCc1n[nH]c(C(=O)N[C@H](Cc2c[nH]c3ccccc23)c2cc(NC)nc(C3CC3)n2)c1C ZINC000019520977 556777662 /nfs/dbraw/zinc/77/76/62/556777662.db2.gz FROMKNRLIOOLMO-HXUWFJFHSA-N 0 1 443.555 4.185 40 0 IIABMN COc1ccc([C@H]2CN(C(=O)C3CC3)[C@@H]3CCN(Cc4ccc(F)c(F)c4)C[C@@H]32)cc1 ZINC000019557700 556799843 /nfs/dbraw/zinc/79/98/43/556799843.db2.gz LGJRBQHGTKHBDW-PQNGQFLHSA-N 0 1 426.507 4.200 40 0 IIABMN CN(C)CC(=O)N1CCCC[C@H]1c1nc(Nc2cccc(F)c2)cc(-c2cccnc2)n1 ZINC000019581783 556819949 /nfs/dbraw/zinc/81/99/49/556819949.db2.gz HWJWBEZSAVORSQ-NRFANRHFSA-N 0 1 434.519 4.037 40 0 IIABMN COc1cccc(OC)c1CN1CCC(c2cc(N(C)C)nc(-c3cccnc3)n2)CC1 ZINC000019584467 556822001 /nfs/dbraw/zinc/82/20/01/556822001.db2.gz BZZGMSGCVRVQAO-UHFFFAOYSA-N 0 1 433.556 4.001 40 0 IIABMN Cc1nc([C@@H]2CCCN(Cc3cccnc3)C2)nc2c1CC(=O)N2CCCc1ccccc1 ZINC000019695782 556852722 /nfs/dbraw/zinc/85/27/22/556852722.db2.gz SIHIBZUUIXUQOD-HSZRJFAPSA-N 0 1 441.579 4.082 40 0 IIABMN O=C(c1ccncc1)N1CCC(c2ccc3c(n[nH]c3NCc3ccccc3F)n2)CC1 ZINC000019695908 556852908 /nfs/dbraw/zinc/85/29/08/556852908.db2.gz SFEMZANGGYJTIS-UHFFFAOYSA-N 0 1 430.487 4.124 40 0 IIABMN O=C(c1ccncc1)N1CCC[C@@H]1c1cc(CCOc2cccc(C(F)(F)F)c2)[nH]n1 ZINC000019703607 556861872 /nfs/dbraw/zinc/86/18/72/556861872.db2.gz NLHRXPNONWXWGF-HXUWFJFHSA-N 0 1 430.430 4.422 40 0 IIABMN COc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3cc(C)ccc3OC)cc2)cc1 ZINC000408912441 556886344 /nfs/dbraw/zinc/88/63/44/556886344.db2.gz QLEBOKKEMYFHKG-UHFFFAOYSA-N 0 1 426.494 4.065 40 0 IIABMN CC(C)Nc1[nH]nc2nc([C@@H]3CCCN3C(=O)Cc3ccccn3)cc(C(F)(F)F)c21 ZINC000019742561 556886486 /nfs/dbraw/zinc/88/64/86/556886486.db2.gz NDQBDPYJXINRDL-INIZCTEOSA-N 0 1 432.450 4.098 40 0 IIABMN O=C(N[C@H](c1ccccn1)[C@@H]1CCCN(Cc2ccccc2C(F)(F)F)C1)[C@@H]1CCCO1 ZINC000072330605 556906757 /nfs/dbraw/zinc/90/67/57/556906757.db2.gz YHUKXGSHORGOJF-COPCDDAFSA-N 0 1 447.501 4.349 40 0 IIABMN COc1cc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)cc(OC)c1 ZINC000072352782 556925132 /nfs/dbraw/zinc/92/51/32/556925132.db2.gz ZVBYNJPTZRAAMM-SFHVURJKSA-N 0 1 427.545 4.134 40 0 IIABMN Cc1cc(N2CC[C@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)n[nH]3)C2)nc(C)n1 ZINC000072371423 556938661 /nfs/dbraw/zinc/93/86/61/556938661.db2.gz FHWMTYVRTSPPRF-INIZCTEOSA-N 0 1 431.462 4.451 40 0 IIABMN COCc1ccc(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4Cl)[nH]n3)C2)cc1 ZINC000072371607 556939781 /nfs/dbraw/zinc/93/97/81/556939781.db2.gz NOIHEHQITQHSGV-IBGZPJMESA-N 0 1 439.943 4.461 40 0 IIABMN COCc1cc(C[N@@H+]2CCC[C@H]2c2cncc([N-]c3nncs3)n2)ccc1OC(C)C ZINC000072376457 556954737 /nfs/dbraw/zinc/95/47/37/556954737.db2.gz FDQJNTOKOMIHST-IBGZPJMESA-N 0 1 440.573 4.342 40 0 IIABMN COCc1cc(C[N@H+]2CCC[C@H]2c2cncc([N-]c3nncs3)n2)ccc1OC(C)C ZINC000072376457 556954739 /nfs/dbraw/zinc/95/47/39/556954739.db2.gz FDQJNTOKOMIHST-IBGZPJMESA-N 0 1 440.573 4.342 40 0 IIABMN Cc1nc(C2CCN(Cc3ccncc3)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072380047 556957320 /nfs/dbraw/zinc/95/73/20/556957320.db2.gz NHQNIYJEOSILET-UHFFFAOYSA-N 0 1 441.579 4.082 40 0 IIABMN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)N3CCCCC3)CC2)on1 ZINC000257250043 556988794 /nfs/dbraw/zinc/98/87/94/556988794.db2.gz JKSWEGKGHUOSFD-MISYRCLQSA-N 0 1 425.577 4.013 40 0 IIABMN COc1ccc(OC)c([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)c1 ZINC000102732393 557131748 /nfs/dbraw/zinc/13/17/48/557131748.db2.gz QCAPIHXQUSPMAK-TZRRMPRUSA-N 0 1 444.487 4.063 40 0 IIABMN Cc1noc(C)c1COc1ccc(CN2C[C@H](O)[C@@H](Oc3c(C)ccc(C)c3C)C2)cc1 ZINC000585268691 557207436 /nfs/dbraw/zinc/20/74/36/557207436.db2.gz QJAAIWUWMDKIHV-DQEYMECFSA-N 0 1 436.552 4.420 40 0 IIABMN Cc1cc(C)nc(Nc2cc(C)nc([C@@H]3CCCN(C(=O)/C=C/c4cccnc4)C3)c2)n1 ZINC000585293541 557231856 /nfs/dbraw/zinc/23/18/56/557231856.db2.gz ZCHQTZIGGGKHFT-MHNQQFQPSA-N 0 1 428.540 4.355 40 0 IIABMN CCOc1ccc([C@H]2c3c(O)n(-c4ccc(F)cc4)c(O)c3ON2c2ccccc2)cc1 ZINC000101200963 557245615 /nfs/dbraw/zinc/24/56/15/557245615.db2.gz HQSPYXVGXOZEBV-VJBWXMMDSA-N 0 1 432.451 4.276 40 0 IIABMN COc1ccc([C@@H]2C[C@H](OC(=O)CCc3ccc(O)cc3)C[C@@H]3CCCC[N@H+]32)cc1O ZINC000013407238 557322541 /nfs/dbraw/zinc/32/25/41/557322541.db2.gz TYTIBYQBVJUCGJ-NNWRFLSQSA-N 0 1 425.525 4.340 40 0 IIABMN CN1CCN(c2ccc(NC(=S)NC(=O)C=Cc3ccc(Cl)cc3Cl)cc2)CC1 ZINC000014271830 557431005 /nfs/dbraw/zinc/43/10/05/557431005.db2.gz SJLRAHAAHAJYKZ-YCRREMRBSA-N 0 1 449.407 4.272 40 0 IIABMN COc1ccc([C@@H]2C(C)=Nc3ccccc3N=C2NC(=O)CN2CCC(C)CC2)cc1OC ZINC000014608057 557448288 /nfs/dbraw/zinc/44/82/88/557448288.db2.gz WGDFZIKTADRXNA-VWLOTQADSA-N 0 1 448.567 4.472 40 0 IIABMN CN1CCN(c2ccc(NC(=S)NCC3(c4ccc(F)cc4)CCCCC3)cn2)CC1 ZINC000224008562 557543413 /nfs/dbraw/zinc/54/34/13/557543413.db2.gz SXBQZUPBNWBQGB-UHFFFAOYSA-N 0 1 441.620 4.161 40 0 IIABMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)sc(=O)n2Cc1ccccc1 ZINC000225738912 557770965 /nfs/dbraw/zinc/77/09/65/557770965.db2.gz JKOBTLIGFAIGFO-UHFFFAOYSA-N 0 1 440.546 4.311 40 0 IIABMN CCN(CC)C(=O)Cc1c(C)nc([C@@H]2CC[N@@H+](Cc3cc(C)c(OC)cc3C)C2)nc1C ZINC000257202379 568666438 /nfs/dbraw/zinc/66/64/38/568666438.db2.gz ALMUEOPXWSAQEF-OAQYLSRUSA-N 0 1 438.616 4.119 40 0 IIABMN Cc1cc(N(C)C)nc([C@]2(C)CCCN(Cc3ccccc3OCc3cccnc3)C2)n1 ZINC000257269775 568697543 /nfs/dbraw/zinc/69/75/43/568697543.db2.gz MRIMSSNMSVOZTL-AREMUKBSSA-N 0 1 431.584 4.379 40 0 IIABMN CCCN1CCN(Cc2cccc(O)c2)C[C@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257306734 568714043 /nfs/dbraw/zinc/71/40/43/568714043.db2.gz SVPLJRIKUQAQCG-DEOSSOPVSA-N 0 1 429.564 4.367 40 0 IIABMN CCCN1CCN(Cc2cccc(O)c2)C[C@@H](Cc2ccccc2-c2cccnc2)C1=O ZINC000257306735 568714101 /nfs/dbraw/zinc/71/41/01/568714101.db2.gz SVPLJRIKUQAQCG-XMMPIXPASA-N 0 1 429.564 4.367 40 0 IIABMN CNC(=O)c1sc2ccccc2c1C[C@H]1CCCCN1Cc1ccnc(N2CCCC2)n1 ZINC000257314754 568717622 /nfs/dbraw/zinc/71/76/22/568717622.db2.gz UYHVVUQUZDMBIG-LJQANCHMSA-N 0 1 449.624 4.248 40 0 IIABMN COCCc1ncc(CN2CC[C@@H](c3cc(Nc4nc(C)c(C)s4)cc(C)n3)C2)cn1 ZINC000257345058 568730809 /nfs/dbraw/zinc/73/08/09/568730809.db2.gz ZZTUCSGSNYXDQO-LJQANCHMSA-N 0 1 438.601 4.175 40 0 IIABMN COc1ccccc1-c1ccc2c([C@H]3CN(Cc4ccc(C)s4)CCN3C)nnn2c1 ZINC000306133996 568768240 /nfs/dbraw/zinc/76/82/40/568768240.db2.gz NBIZKLZRWYQCCY-JOCHJYFZSA-N 0 1 433.581 4.264 40 0 IIABMN COc1ccc2[nH]cc(CCN3C(=O)c4n[nH]c(C)c4[C@H]3c3cc(OC)ccc3OC)c2c1 ZINC000009421160 568794480 /nfs/dbraw/zinc/79/44/80/568794480.db2.gz DACQBANVUMRIRS-XMMPIXPASA-N 0 1 446.507 4.013 40 0 IIABMN COC(=O)c1c(NC(=O)C2CCN(Cc3ccc(F)cc3)CC2)sc2c1CCCC2 ZINC000009063605 569220027 /nfs/dbraw/zinc/22/00/27/569220027.db2.gz BSJWRTMLFGMCGE-UHFFFAOYSA-N 0 1 430.545 4.403 40 0 IIABMN COc1ccccc1/C=C/CN1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000012157803 569224833 /nfs/dbraw/zinc/22/48/33/569224833.db2.gz HPDFJXXPPNBDQC-BJPOTMLSSA-N 0 1 448.592 4.443 40 0 IIABMN COc1cc(CN2CCC[C@H]2c2cc(Cc3ccccc3)cc(C)n2)ccc1OCC(N)=O ZINC000019691930 569227841 /nfs/dbraw/zinc/22/78/41/569227841.db2.gz BKGHCMGZAQGRGK-DEOSSOPVSA-N 0 1 445.563 4.191 40 0 IIABMN Cc1ccc(-c2cc(C[C@]3(C(=O)NCC(C)C)CCCN3Cc3ccccn3)on2)cc1 ZINC000019696506 569229801 /nfs/dbraw/zinc/22/98/01/569229801.db2.gz PFYICMJICFQLJV-SANMLTNESA-N 0 1 432.568 4.395 40 0 IIABMN Cc1ccc(-c2cc(C[C@]3(C(=O)NCC(C)C)CCCN3Cc3ccncc3)on2)cc1 ZINC000019696504 569229820 /nfs/dbraw/zinc/22/98/20/569229820.db2.gz KPVPCPASNRDWIQ-SANMLTNESA-N 0 1 432.568 4.395 40 0 IIABMN CC(=O)N[C@@H]1C[C@H](C(C)C)O[C@H](c2cccc(NC(=O)c3nc4ccc(F)cc4[nH]3)c2)C1 ZINC000019712237 569235291 /nfs/dbraw/zinc/23/52/91/569235291.db2.gz BKFUKRIQVWEJSY-QIJUGHKUSA-N 0 1 438.503 4.335 40 0 IIABMN COc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000018069282 569284717 /nfs/dbraw/zinc/28/47/17/569284717.db2.gz ADWLDFXLYJEDMV-SGNDLWITSA-N 0 1 444.487 4.063 40 0 IIABMN COc1cccc(CNC(=O)c2cnc([C@H]3CCCN(Cc4ccc(F)cc4)C3)nc2C)c1 ZINC000019763357 569328924 /nfs/dbraw/zinc/32/89/24/569328924.db2.gz RRYDXOLAAUKVAX-NRFANRHFSA-N 0 1 448.542 4.242 40 0 IIABMN CC(C)(C)c1ccc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)cc1 ZINC000020461380 519040011 /nfs/dbraw/zinc/04/00/11/519040011.db2.gz URLMOJPGCZTSAD-UHFFFAOYSA-N 0 1 439.537 4.197 40 0 IIABMN COc1ccc(CN2Cc3[nH]cnc3C[C@H]2C(=O)N(C)Cc2ccccc2)c2ccccc12 ZINC000012530194 524043330 /nfs/dbraw/zinc/04/33/30/524043330.db2.gz YKMQOCVBUKGWSI-VWLOTQADSA-N 0 1 440.547 4.157 40 0 biogenic,in-vitro IIABMN Cc1cc(C)cc(CSCC(=O)Nc2ccc(S(=O)(=O)Nc3cccnc3)cc2)c1 ZINC000020459763 524395280 /nfs/dbraw/zinc/39/52/80/524395280.db2.gz WWHZGLQKFJTGMJ-UHFFFAOYSA-N 0 1 441.578 4.371 40 0 IIABMN CCN(CC)C(=O)Nc1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)cc1 ZINC000408591053 555951157 /nfs/dbraw/zinc/95/11/57/555951157.db2.gz ICFOMZAHIRSQNF-UHFFFAOYSA-N 0 1 441.937 4.032 40 0 IIABMN O=C1NC(=O)N(Cc2ccco2)C(=O)C1=Cc1ccccc1OCc1cccc([N+](=O)[O-])c1 ZINC000035375789 556088608 /nfs/dbraw/zinc/08/86/08/556088608.db2.gz ZLZWDGFVQIBSEV-XDHOZWIPSA-N 0 1 447.403 4.269 40 0 IIABMN CCOC(=O)C1=C(c2ccccc2)NC(=O)N[C@H]1c1cc(Cl)c(OCC)c(OCC)c1 ZINC000015017299 556486516 /nfs/dbraw/zinc/48/65/16/556486516.db2.gz GFQAOHPBRMIJOP-FQEVSTJZSA-N 0 1 444.915 4.466 40 0 IIABMN CC[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013612370 556535033 /nfs/dbraw/zinc/53/50/33/556535033.db2.gz OHIVQXQBIUZTQW-QFIPXVFZSA-N 0 1 443.613 4.180 40 0 IIABMN CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc([N-]S(=O)(=O)c2ccc(C)cc2)cc1 ZINC000013612370 556535037 /nfs/dbraw/zinc/53/50/37/556535037.db2.gz OHIVQXQBIUZTQW-QFIPXVFZSA-N 0 1 443.613 4.180 40 0 IIABMN Cc1sc(N2CCOCC2)nc1-c1cc(Br)cc(Br)c1O ZINC000016265052 556595449 /nfs/dbraw/zinc/59/54/49/556595449.db2.gz UANSOWPMEQRYPL-UHFFFAOYSA-N 0 1 434.153 4.186 40 0 IIABMN Cc1ccc([C@H](C)C(=O)N2CC[C@@H](c3nc4c(c(=O)[nH]3)CCN(C3CCCCC3)C4)C2)cc1 ZINC000019135714 556706168 /nfs/dbraw/zinc/70/61/68/556706168.db2.gz CIMBPVAKFYYFRJ-PZJWPPBQSA-N 0 1 448.611 4.301 40 0 IIABMN COc1ccc(OCCc2cc([C@H]3CN(Cc4ccc5ncccc5c4)CCO3)n[nH]2)cc1 ZINC000257250549 556711665 /nfs/dbraw/zinc/71/16/65/556711665.db2.gz JMYYPFZJTBMHSN-AREMUKBSSA-N 0 1 444.535 4.162 40 0 IIABMN COc1ccc(OCCc2cc([C@@H]3CN(Cc4ccc5ncccc5c4)CCO3)n[nH]2)cc1 ZINC000257250550 556711747 /nfs/dbraw/zinc/71/17/47/556711747.db2.gz JMYYPFZJTBMHSN-SANMLTNESA-N 0 1 444.535 4.162 40 0 IIABMN Cc1ccsc1CN(C)Cc1c2cc(C)cn(CC(=O)N(C)C)c-2nc1C(F)(F)F ZINC000019238565 556723891 /nfs/dbraw/zinc/72/38/91/556723891.db2.gz LXCMFVXSWSLMAK-UHFFFAOYSA-N 0 1 438.519 4.405 40 0 IIABMN CC(=O)c1ccc(NC(=O)CSc2nc(-c3cccc(Br)c3)n[nH]2)cc1 ZINC000000873623 556728301 /nfs/dbraw/zinc/72/83/01/556728301.db2.gz LZOFGUAJOYVTQC-UHFFFAOYSA-N 0 1 431.315 4.168 40 0 IIABMN CC(C)c1cc(C(=O)N2CCC[C@@](Cc3cccc(-c4cccc(F)c4)c3)(C(N)=O)C2)n[nH]1 ZINC000019451775 556762701 /nfs/dbraw/zinc/76/27/01/556762701.db2.gz JCSTUXJCQBCPCC-SANMLTNESA-N 0 1 448.542 4.290 40 0 IIABMN COCCc1ncc(CN2CCC[C@H](c3ccc(Cc4cccc(OC)c4)cn3)C2)cn1 ZINC000019690234 556845604 /nfs/dbraw/zinc/84/56/04/556845604.db2.gz NDZUEMMVDGXDKU-QHCPKHFHSA-N 0 1 432.568 4.040 40 0 IIABMN Cc1cc(-c2cnc(N)nc2)cc([C@H]2CCCN2CC(=O)N(Cc2ccccc2)C(C)C)n1 ZINC000019691015 556846973 /nfs/dbraw/zinc/84/69/73/556846973.db2.gz RLISQFONJMSCAH-XMMPIXPASA-N 0 1 444.583 4.003 40 0 IIABMN COCCc1ncc(CN2CCC(c3cc(Cc4ccc(OC)cc4)cc(C)n3)CC2)cn1 ZINC000019691736 556847352 /nfs/dbraw/zinc/84/73/52/556847352.db2.gz NNLRWPQVEJACOH-UHFFFAOYSA-N 0 1 446.595 4.348 40 0 IIABMN O=C(Cc1ccncc1)N1CCC[C@@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019695664 556852478 /nfs/dbraw/zinc/85/24/78/556852478.db2.gz XRBBYILZACZRCL-LJQANCHMSA-N 0 1 444.514 4.053 40 0 IIABMN CC(C)Nc1[nH]nc2nc([C@H]3CCCN(C(=O)c4ccccn4)C3)cc(C(F)(F)F)c21 ZINC000019742343 556886163 /nfs/dbraw/zinc/88/61/63/556886163.db2.gz MYPSJOMTXYUDHC-ZDUSSCGKSA-N 0 1 432.450 4.212 40 0 IIABMN Cc1cccc(C)c1OCC(=O)N1CCCC[C@@H]1c1cc(C(F)(F)F)c2c(N)[nH]nc2n1 ZINC000019743500 556888330 /nfs/dbraw/zinc/88/83/30/556888330.db2.gz NJAWAHXGNAVFBR-MRXNPFEDSA-N 0 1 447.461 4.308 40 0 IIABMN COc1cccc(CN2CCC[C@H](c3cc(C(=O)NC4CCCCC4)on3)C2)c1OC ZINC000072351301 556920932 /nfs/dbraw/zinc/92/09/32/556920932.db2.gz CJXZNTDKDJYEJG-KRWDZBQOSA-N 0 1 427.545 4.134 40 0 IIABMN Cc1cccnc1Nc1cccc([C@@H]2CCCN2Cc2ccc3c(c2)n(C)c(=O)n3C)n1 ZINC000072375653 556952098 /nfs/dbraw/zinc/95/20/98/556952098.db2.gz IDMZXVDUOBZDGC-FQEVSTJZSA-N 0 1 428.540 4.056 40 0 IIABMN Cc1nc(C2CCN(Cc3ccccn3)CC2)nc2c1CCC(=O)N2CCc1ccccc1 ZINC000072380085 556957544 /nfs/dbraw/zinc/95/75/44/556957544.db2.gz QSQLMTHYVRGKSB-UHFFFAOYSA-N 0 1 441.579 4.082 40 0 IIABMN CNC(=O)[C@@]1(Cc2cccc(-c3ccccc3)c2)CCCN(C(=O)c2cc(C(C)C)[nH]n2)C1 ZINC000072391264 556961867 /nfs/dbraw/zinc/96/18/67/556961867.db2.gz CGVGQKGCUFNQJW-HHHXNRCGSA-N 0 1 444.579 4.411 40 0 IIABMN O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12)c1ccsc1 ZINC000585110119 557042480 /nfs/dbraw/zinc/04/24/80/557042480.db2.gz KYRSVJHUZLYXSL-FGZHOGPDSA-N 0 1 431.561 4.172 40 0 IIABMN O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12)c1ccsc1 ZINC000585110120 557043166 /nfs/dbraw/zinc/04/31/66/557043166.db2.gz KYRSVJHUZLYXSL-VXKWHMMOSA-N 0 1 431.561 4.172 40 0 IIABMN CC(C)OC(=O)c1ccc(NC(=O)CSc2nc(-c3ccc(Cl)cc3)n[nH]2)cc1 ZINC000020763703 557127313 /nfs/dbraw/zinc/12/73/13/557127313.db2.gz IEUAEQLUCHPMAW-UHFFFAOYSA-N 0 1 430.917 4.421 40 0 IIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)c(OC)c1 ZINC000008810865 557173584 /nfs/dbraw/zinc/17/35/84/557173584.db2.gz HJOCLMBRWCTXEM-UHFFFAOYSA-N 0 1 448.447 4.035 40 0 IIABMN Cc1ccc(C[N@@H+]2CCCC[C@@H]2c2cc3nc4c(c(=O)n3[n-]2)CN(C(=O)C(C)C)CC4)cc1 ZINC000100243183 557255422 /nfs/dbraw/zinc/25/54/22/557255422.db2.gz OAZLFNZKLNTPCZ-HSZRJFAPSA-N 0 1 447.583 4.011 40 0 IIABMN Cc1cc(-c2cnc(C)nc2[C@H]2CC[C@H](CNC(=O)[C@@H](C)N3CCCCC3)CC2)on1 ZINC000100743665 557274282 /nfs/dbraw/zinc/27/42/82/557274282.db2.gz JKSWEGKGHUOSFD-RLLQIKCJSA-N 0 1 425.577 4.013 40 0 IIABMN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2C)c(C)n1S(=O)(=O)c1ccccc1 ZINC000013585929 557356121 /nfs/dbraw/zinc/35/61/21/557356121.db2.gz UHNAPCDFVXRVMJ-UHFFFAOYSA-N 0 1 438.958 4.105 40 0 IIABMN CCSc1nnc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(C)cc2)s1 ZINC000223306266 557457209 /nfs/dbraw/zinc/45/72/09/557457209.db2.gz DVFMUBGBDKRGFH-UHFFFAOYSA-N 0 1 434.568 4.012 40 0 IIABMN COc1ccc(C)cc1NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c1ccc(C)cc1 ZINC000223376587 557464798 /nfs/dbraw/zinc/46/47/98/557464798.db2.gz KGHATYWPJVVGIR-UHFFFAOYSA-N 0 1 436.533 4.316 40 0 IIABMN COc1ccc(OC[C@H](O)CN2CCN(c3cccc(Cl)c3)CC2)c(C(C)(C)C)c1 ZINC000019901758 557509840 /nfs/dbraw/zinc/50/98/40/557509840.db2.gz SZKSFMSOBOVNGD-HXUWFJFHSA-N 0 1 432.992 4.208 40 0 IIABMN O[C@@H](COCCC12CC3CC(CC(C3)C1)C2)CN1CCN(Cc2ccc(Cl)cc2)CC1 ZINC000023073058 557528809 /nfs/dbraw/zinc/52/88/09/557528809.db2.gz JJVDQAKSJWDOBV-OHKMUVNKSA-N 0 1 447.063 4.442 40 0 IIABMN O=C(NCCOCc1ccccc1)c1ccc(Cl)c(S(=O)(=O)Nc2ccccc2)c1 ZINC000223954884 557534131 /nfs/dbraw/zinc/53/41/31/557534131.db2.gz FGHAYEKYKBPJIJ-UHFFFAOYSA-N 0 1 444.940 4.087 40 0 IIABMN COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccccc3C)cc2)c(OC)c1 ZINC000224523571 557616206 /nfs/dbraw/zinc/61/62/06/557616206.db2.gz 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Cc1cc(Nc2nccs2)cc([C@H]2CCCN(C(=O)CCc3nnc(C(C)C)o3)C2)n1 ZINC000257287767 568705666 /nfs/dbraw/zinc/70/56/66/568705666.db2.gz PRKJFBNTRPWCNM-INIZCTEOSA-N 0 1 440.573 4.435 40 0 IIABMN CCOCc1ccc(C(=O)N2CCC(c3cc(Nc4cnccn4)cc(C)n3)CC2)cc1 ZINC000257307552 568714460 /nfs/dbraw/zinc/71/44/60/568714460.db2.gz SZEUXAMZYZYPAG-UHFFFAOYSA-N 0 1 431.540 4.480 40 0 IIABMN O=C(OCc1ccccc1)N1C[C@@H](O)[C@H](N(Cc2ccccc2)Cc2ccc(F)cc2)C1 ZINC000257337839 568727875 /nfs/dbraw/zinc/72/78/75/568727875.db2.gz YUQOTBWXJSKYBT-JWQCQUIFSA-N 0 1 434.511 4.210 40 0 IIABMN Cc1cnc(Nc2cc([C@@H]3CCN(C(=O)c4[nH]nc5ccc(C)cc54)C3)nc(C)n2)s1 ZINC000257343691 568730249 /nfs/dbraw/zinc/73/02/49/568730249.db2.gz ZUAWLDAXOVIIAE-OAHLLOKOSA-N 0 1 433.541 4.108 40 0 IIABMN COc1cccc(-c2ccc3nc([C@@H]4CCCN(Cc5cccnc5OC)C4)nn3c2)c1 ZINC000306143603 568773388 /nfs/dbraw/zinc/77/33/88/568773388.db2.gz YGSVMJBMBSLJNU-HXUWFJFHSA-N 0 1 429.524 4.188 40 0 IIABMN CC[C@H](Sc1nc(O)c(-c2ccccc2)c(=O)[nH]1)C(=O)Nc1cccc2ccccc21 ZINC000001062536 568788031 /nfs/dbraw/zinc/78/80/31/568788031.db2.gz XYJKOSMFYPEWHU-IBGZPJMESA-N 0 1 431.517 4.086 40 0 IIABMN COc1cc(C)c(Cl)cc1S(=O)(=O)Nc1cccc(-c2cn3cccnc3n2)c1 ZINC000013566820 568905251 /nfs/dbraw/zinc/90/52/51/568905251.db2.gz APQSJENRFZELNO-UHFFFAOYSA-N 0 1 428.901 4.168 40 0 IIABMN COC(=O)c1c(NC(=O)C2CCN(Cc3ccccc3F)CC2)sc2c1CCCC2 ZINC000009063508 569220023 /nfs/dbraw/zinc/22/00/23/569220023.db2.gz OCALBQNYQUWWAD-UHFFFAOYSA-N 0 1 430.545 4.403 40 0 IIABMN O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000010329787 569223246 /nfs/dbraw/zinc/22/32/46/569223246.db2.gz KBYLWSBWXWWFAF-UHFFFAOYSA-N 0 1 435.549 4.336 40 0 IIABMN CNc1ncccc1CN1CCC[C@@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019592045 569227207 /nfs/dbraw/zinc/22/72/07/569227207.db2.gz ZEPZIXAPDGWRED-AUSIDOKSSA-N 0 1 433.531 4.041 40 0 IIABMN CNc1ncccc1CN1CCC[C@H]([C@@H](NC(=O)c2cccc(F)c2)c2ccccn2)C1 ZINC000019592046 569227449 /nfs/dbraw/zinc/22/74/49/569227449.db2.gz ZEPZIXAPDGWRED-WMZHIEFXSA-N 0 1 433.531 4.041 40 0 IIABMN Cc1ccccc1-c1cccc(CC2(C(=O)N(C)C)CCN(Cc3cnn(C)c3)CC2)c1 ZINC000019700400 569231147 /nfs/dbraw/zinc/23/11/47/569231147.db2.gz VCIGEIFGWDHZOG-UHFFFAOYSA-N 0 1 430.596 4.309 40 0 IIABMN Cc1nc([C@@]2(O)CCCN(Cc3ccncc3)CC2)sc1CCOc1ccc(F)cc1 ZINC000019704896 569233604 /nfs/dbraw/zinc/23/36/04/569233604.db2.gz PQQRYASNSKCZRR-XMMPIXPASA-N 0 1 441.572 4.481 40 0 IIABMN CC(C)N(C(=O)CN1CC[C@@H]2[C@H]1CCCC(=O)N2Cc1ccccc1)C1CCCCC1 ZINC000019713237 569235406 /nfs/dbraw/zinc/23/54/06/569235406.db2.gz OJGAOANYUHZOJV-DNQXCXABSA-N 0 1 425.617 4.212 40 0 IIABMN COc1ccc(OC)c(CN2CCC(c3ncc(C(=O)Nc4ccccc4)c(C)n3)CC2)c1 ZINC000019764161 569238367 /nfs/dbraw/zinc/23/83/67/569238367.db2.gz PYMJMTBWRHWZBE-UHFFFAOYSA-N 0 1 446.551 4.434 40 0 IIABMN CCOc1ccccc1NS(=O)(=O)c1ccc2c(c1)C[C@H](C)N2C(=O)c1ccccc1 ZINC000028206984 569242747 /nfs/dbraw/zinc/24/27/47/569242747.db2.gz HLVPYTYXLPSDKA-KRWDZBQOSA-N 0 1 436.533 4.478 40 0 IIABMN Cc1cc(C)cc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)c1 ZINC000105942391 569250269 /nfs/dbraw/zinc/25/02/69/569250269.db2.gz UZCKKQSJFZYJML-UHFFFAOYSA-N 0 1 433.331 4.287 40 0 IIABMN Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccccc3N3CCN(C)CC3)o2)cc1C ZINC000108929226 569253188 /nfs/dbraw/zinc/25/31/88/569253188.db2.gz GBWKRMNZIJJXLA-UHFFFAOYSA-N 0 1 448.592 4.442 40 0 IIABMN CCC(CC)C(=O)NC[C@H]1C[C@@H]2CC[N@H+]1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 ZINC000015672630 291381050 /nfs/dbraw/zinc/38/10/50/291381050.db2.gz RFMCULBPMVFAAA-QTJGBDASSA-N 0 1 449.643 4.248 40 0 biogenic,in-vitro IIABMN CCC(CC)C(=O)NC[C@H]1C[C@@H]2CCN1C[C@@H]2c1cc(-c2ccc(N(C)C)cc2)nc(C)n1 ZINC000015672630 291381053 /nfs/dbraw/zinc/38/10/53/291381053.db2.gz RFMCULBPMVFAAA-QTJGBDASSA-N 0 1 449.643 4.248 40 0 biogenic,in-vitro IIABMN Cn1c2ccccc2c2c1C(=O)N(CCCN1CCN(c3cccc(Cl)c3)CC1)CC2 ZINC000001623024 132246168 /nfs/dbraw/zinc/24/61/68/132246168.db2.gz ZRYZUZQDKWTLMK-UHFFFAOYSA-N 0 1 436.987 4.042 40 0 IIABMN COc1ccc(Nc2cc(C)nc([C@H]3CCCN(CC(=O)Nc4cnn(C)c4C)C3)c2)cc1 ZINC000072352031 524714284 /nfs/dbraw/zinc/71/42/84/524714284.db2.gz CZQNRCQFHMGXCI-IBGZPJMESA-N 0 1 448.571 4.002 40 0 IIABMN CCOc1ccc(S(=O)(=O)Nc2ccccc2OC)cc1NC(=O)c1ccccc1 ZINC000408555262 555886988 /nfs/dbraw/zinc/88/69/88/555886988.db2.gz ACAYRLOKMZVCDC-UHFFFAOYSA-N 0 1 426.494 4.147 40 0 IIABMN CCOc1ccccc1NS(=O)(=O)c1ccc(OC)c(NC(=O)c2ccccc2)c1 ZINC000408559803 555899248 /nfs/dbraw/zinc/89/92/48/555899248.db2.gz ZACOPZSPTHSQLN-UHFFFAOYSA-N 0 1 426.494 4.147 40 0 IIABMN CC(=O)Nc1cccc(-c2n[nH]c(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2)c1 ZINC000408638309 556015803 /nfs/dbraw/zinc/01/58/03/556015803.db2.gz RCIFIAVSENVDLZ-UHFFFAOYSA-N 0 1 435.431 4.180 40 0 IIABMN O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccc2)cc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000039753525 556438978 /nfs/dbraw/zinc/43/89/78/556438978.db2.gz IVUOUOJJNFMJFP-UHFFFAOYSA-N 0 1 449.576 4.338 40 0 IIABMN O=C(C1CCN(Cc2ccccc2F)CC1)N1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC000039755774 556439445 /nfs/dbraw/zinc/43/94/45/556439445.db2.gz HVQABHPEGYNTKN-UHFFFAOYSA-N 0 1 449.492 4.405 40 0 IIABMN Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)NCCC[NH+]2CCCCCC2)ccc1C ZINC000013668569 556548964 /nfs/dbraw/zinc/54/89/64/556548964.db2.gz QHFTZRLEPBKRAR-UHFFFAOYSA-N 0 1 443.613 4.100 40 0 IIABMN O=C(COc1cccc2ccccc21)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000038756523 556618228 /nfs/dbraw/zinc/61/82/28/556618228.db2.gz ODAXHOKWEOUGAV-UHFFFAOYSA-N 0 1 433.489 4.053 40 0 IIABMN COc1ccc(OC)c([C@H]2[C@@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3ON2c2ccccc2)c1 ZINC000101063835 556653290 /nfs/dbraw/zinc/65/32/90/556653290.db2.gz QCAPIHXQUSPMAK-HJOGWXRNSA-N 0 1 444.487 4.063 40 0 IIABMN CC(=O)N1Cc2cc(C)ccc2O[C@@]2(CCCN(CCCC(=O)c3ccc(F)cc3)C2)C1 ZINC000019219470 556713747 /nfs/dbraw/zinc/71/37/47/556713747.db2.gz GCDMZJNFMVQIJJ-AREMUKBSSA-N 0 1 438.543 4.373 40 0 IIABMN Cc1cccc(-c2cccc(C[C@@]3(C(N)=O)CCCN(C(=O)c4cc(C(C)C)[nH]n4)C3)c2)c1 ZINC000019235437 556719959 /nfs/dbraw/zinc/71/99/59/556719959.db2.gz MQZZYEPTKIVKDT-MHZLTWQESA-N 0 1 444.579 4.459 40 0 IIABMN CCOc1cc(NS(=O)(=O)c2ccccc2)c(OCC)cc1NC(=O)c1ccco1 ZINC000000881387 556733153 /nfs/dbraw/zinc/73/31/53/556733153.db2.gz YEAQEFVSOPRRBS-UHFFFAOYSA-N 0 1 430.482 4.130 40 0 IIABMN COc1ccc([C@H]2[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]3ON2c2ccccc2)c(OC)c1 ZINC000096295705 556759735 /nfs/dbraw/zinc/75/97/35/556759735.db2.gz BFNZJMMKTNKZMB-HJOGWXRNSA-N 0 1 444.487 4.063 40 0 IIABMN CCc1n[nH]c(C(=O)NCCn2nc(-c3ccc(F)cc3)cc2-c2ccc(C)cn2)c1C ZINC000019520989 556777594 /nfs/dbraw/zinc/77/75/94/556777594.db2.gz RKDQKWSXKHDTOZ-UHFFFAOYSA-N 0 1 432.503 4.084 40 0 IIABMN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccccc2-c2ccc(C)o2)cc1 ZINC000001351175 556780401 /nfs/dbraw/zinc/78/04/01/556780401.db2.gz NIKPERLZJSKGOC-UHFFFAOYSA-N 0 1 448.566 4.086 40 0 IIABMN Cc1cccc(C)c1NC(=O)CN1CCC(n2nnc3cc(C(F)(F)F)ccc32)CC1 ZINC000001380590 556796549 /nfs/dbraw/zinc/79/65/49/556796549.db2.gz HRVSQAIATVFOPC-UHFFFAOYSA-N 0 1 431.462 4.343 40 0 IIABMN CCn1ccnc1CN1CCC[C@](Cc2ccccc2-c2cccnc2)(C(=O)NC(C)C)C1 ZINC000019578069 556815767 /nfs/dbraw/zinc/81/57/67/556815767.db2.gz IXFCMCXOVZQYIQ-HHHXNRCGSA-N 0 1 445.611 4.315 40 0 IIABMN CNC(=O)c1ccc(-c2cc(C)nc([C@H]3CCCN3Cc3c[nH]nc3C(C)(C)C)c2)cn1 ZINC000019690846 556846859 /nfs/dbraw/zinc/84/68/59/556846859.db2.gz INRXHOKOYAWQKG-JOCHJYFZSA-N 0 1 432.572 4.169 40 0 IIABMN COc1cccc(-c2cnc(N(C)C)nc2[C@@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)c1 ZINC000019693936 556848747 /nfs/dbraw/zinc/84/87/47/556848747.db2.gz HBTXQQIJECDUDT-GOSISDBHSA-N 0 1 448.571 4.085 40 0 IIABMN CC(C)c1cc(C(=O)N2CCC(c3nc(N(C)C)ncc3-c3ccc(F)cc3)CC2)n[nH]1 ZINC000019695145 556851465 /nfs/dbraw/zinc/85/14/65/556851465.db2.gz PFVQRDVSHJMYGG-UHFFFAOYSA-N 0 1 436.535 4.215 40 0 IIABMN CN(C)c1cc([C@H]2CC(=O)N(c3ccc(F)cc3)C2)nc(CN(C)CC2CCCCC2)n1 ZINC000019701019 556861003 /nfs/dbraw/zinc/86/10/03/556861003.db2.gz XTJAEXFOJRUAPN-IBGZPJMESA-N 0 1 439.579 4.214 40 0 IIABMN Cc1ccc(CN2C(=O)CCc3c(C)nc(C4CCN(Cc5cccnc5)CC4)nc32)cc1 ZINC000019703734 556862194 /nfs/dbraw/zinc/86/21/94/556862194.db2.gz RLHOYGHLKOFOTI-UHFFFAOYSA-N 0 1 441.579 4.347 40 0 IIABMN O=C(Cc1ccccn1)N1CCC[C@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019742756 556886895 /nfs/dbraw/zinc/88/68/95/556886895.db2.gz LNANERCMVPBEGO-SFHVURJKSA-N 0 1 444.514 4.053 40 0 IIABMN Cc1nccc(-c2ccc(-c3noc(CNCCc4c[nH]c5ccc(F)cc45)n3)cc2)n1 ZINC000072339987 556912038 /nfs/dbraw/zinc/91/20/38/556912038.db2.gz SURUEULHHJHHMC-UHFFFAOYSA-N 0 1 428.471 4.455 40 0 IIABMN CN(C)C(=O)c1sc2ccccc2c1C[C@H]1CCCCCN1CC(=O)N1CCCCC1 ZINC000072370704 556935862 /nfs/dbraw/zinc/93/58/62/556935862.db2.gz MIIFTRUJUPTFAB-LJQANCHMSA-N 0 1 441.641 4.403 40 0 IIABMN Cc1nc(C)c(C(=O)N2CC[C@H](c3cc(CCOc4ccccc4C(F)(F)F)[nH]n3)C2)o1 ZINC000072371537 556939420 /nfs/dbraw/zinc/93/94/20/556939420.db2.gz GIUILFDRCCXIPD-HNNXBMFYSA-N 0 1 448.445 4.285 40 0 IIABMN O=C1N/C(=C\c2cc(Br)cc(Cl)c2O)C(=O)N1Cc1ccccc1F ZINC000409074879 556943581 /nfs/dbraw/zinc/94/35/81/556943581.db2.gz NPDQIPHEINYTRI-NSIKDUERSA-N 0 1 425.641 4.040 40 0 IIABMN Cc1cccc(Nc2cccc([C@H]3CCCN3C(=O)CCc3n[nH]c4c3CCCC4)n2)n1 ZINC000072375510 556951572 /nfs/dbraw/zinc/95/15/72/556951572.db2.gz UXKKWVQYISZCNK-JOCHJYFZSA-N 0 1 430.556 4.427 40 0 IIABMN Cc1cnc(Nc2cccc([C@@H]3CCCN3Cc3ccc4c(c3)n(C)c(=O)n4C)n2)s1 ZINC000072375657 556952115 /nfs/dbraw/zinc/95/21/15/556952115.db2.gz KRNCKTUZQLKVNZ-SFHVURJKSA-N 0 1 434.569 4.118 40 0 IIABMN CCOC(=O)[C@]1(Cc2cc(-c3ccccc3F)no2)CCCN(Cc2cncn2CC)C1 ZINC000072394016 556965337 /nfs/dbraw/zinc/96/53/37/556965337.db2.gz APNIDZWYGAOMEV-DEOSSOPVSA-N 0 1 440.519 4.085 40 0 IIABMN C=Cn1cc(CN2CCC[C@](Cc3cc(-c4ccccc4)no3)(C(=O)OCC)C2)c(C)n1 ZINC000072394091 556965656 /nfs/dbraw/zinc/96/56/56/556965656.db2.gz YBXWKLFYZNDULE-RUZDIDTESA-N 0 1 434.540 4.335 40 0 IIABMN O=C(NC[C@H]1CC[C@@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12)c1cccc(F)c1 ZINC000585110096 557042487 /nfs/dbraw/zinc/04/24/87/557042487.db2.gz INELSHITHAPPNF-DNQXCXABSA-N 0 1 443.522 4.249 40 0 IIABMN O=C(NC[C@@H]1CC[C@H]2CN(C(=O)c3ccccc3)c3ccccc3CN12)c1cccc(F)c1 ZINC000585110098 557042532 /nfs/dbraw/zinc/04/25/32/557042532.db2.gz INELSHITHAPPNF-ZEQRLZLVSA-N 0 1 443.522 4.249 40 0 IIABMN CN(C)C(=O)c1cn[nH]c1[C@@H]1CCCN(C(=O)CC2c3ccccc3Oc3ccccc32)C1 ZINC000585165388 557126764 /nfs/dbraw/zinc/12/67/64/557126764.db2.gz STWGFGHTNKJYEJ-QGZVFWFLSA-N 0 1 444.535 4.145 40 0 IIABMN CCOc1cc([C@H]2[C@H]3C(=O)N(c4ccc(C)cc4)C(=O)[C@@H]3ON2c2ccccc2)ccc1O ZINC000102757998 557132349 /nfs/dbraw/zinc/13/23/49/557132349.db2.gz BSHNXEWKJQWCMI-TZRRMPRUSA-N 0 1 444.487 4.150 40 0 IIABMN CC(=O)Nc1ccc([C@H]2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@@H]3ON2c2ccccc2)cc1 ZINC000102764700 557132697 /nfs/dbraw/zinc/13/26/97/557132697.db2.gz DEFJWDXEEOVJRK-TZRRMPRUSA-N 0 1 441.487 4.005 40 0 IIABMN CC[C@@H](Oc1ccccc1Cl)C(=O)Nc1ccc(S(=O)(=O)Nc2cccnc2)cc1 ZINC000216410769 557145698 /nfs/dbraw/zinc/14/56/98/557145698.db2.gz HDLDPZKTDRLOKY-LJQANCHMSA-N 0 1 445.928 4.332 40 0 IIABMN O=C(NCc1ccc(C[NH+]2CCCC2)cc1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1 ZINC000024389833 557146125 /nfs/dbraw/zinc/14/61/25/557146125.db2.gz DMPOOMMOOIARKA-UHFFFAOYSA-N 0 1 449.576 4.013 40 0 IIABMN CN1CCN(c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)CC1 ZINC000006288019 557150709 /nfs/dbraw/zinc/15/07/09/557150709.db2.gz IORZASZITXYMAT-UHFFFAOYSA-N 0 1 430.577 4.232 40 0 IIABMN COc1ccc(OC)c(NS(=O)(=O)c2ccc(NC(=O)c3ccc(F)cc3)c(F)c2)c1 ZINC000008810866 557173539 /nfs/dbraw/zinc/17/35/39/557173539.db2.gz RHMFASZHKBYPBR-UHFFFAOYSA-N 0 1 448.447 4.035 40 0 IIABMN Cc1ccccc1C[N@@H+]1CCCC[C@H]1c1cc2nc3c(c(=O)n2[n-]1)CN(C(=O)C(C)C)CC3 ZINC000100243190 557255461 /nfs/dbraw/zinc/25/54/61/557255461.db2.gz SUKDWTTXJUTUEE-QHCPKHFHSA-N 0 1 447.583 4.011 40 0 IIABMN COc1cccc(OC)c1CN1CCC[C@H]([C@H](NC(=O)CC(C)C)c2ccccn2)C1 ZINC000057774053 557263782 /nfs/dbraw/zinc/26/37/82/557263782.db2.gz RRNLSRWDBCCRJH-DFBJGRDBSA-N 0 1 425.573 4.214 40 0 IIABMN COc1cc(OC)cc(-c2n[nH]c(SCC(=O)Nc3ccccc3C(F)(F)F)n2)c1 ZINC000014137142 557423021 /nfs/dbraw/zinc/42/30/21/557423021.db2.gz VQBSMLNDFUTMOX-UHFFFAOYSA-N 0 1 438.431 4.239 40 0 IIABMN CC(C)(C)c1ccc(-c2noc(CNS(=O)(=O)Cc3c(F)cccc3Cl)n2)cc1 ZINC000223632126 557494211 /nfs/dbraw/zinc/49/42/11/557494211.db2.gz CGDBFWBDGYALRQ-UHFFFAOYSA-N 0 1 437.924 4.446 40 0 IIABMN Cc1cccc(C(=O)Nc2nnc(S(=O)(=O)N[C@@H](CC(C)C)c3ccccc3)s2)c1 ZINC000223978020 557538118 /nfs/dbraw/zinc/53/81/18/557538118.db2.gz DNTIUWKLTUTZFI-SFHVURJKSA-N 0 1 444.582 4.165 40 0 IIABMN COc1ccccc1NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2ccccc2C)cc1 ZINC000224558659 557623215 /nfs/dbraw/zinc/62/32/15/557623215.db2.gz AVCMCHPDRIGTON-QGZVFWFLSA-N 0 1 440.521 4.210 40 0 IIABMN COc1cc(CN2CCC(NC(=S)Nc3ccc(C)cc3C)CC2)cc(OC)c1OC ZINC000225227295 557702579 /nfs/dbraw/zinc/70/25/79/557702579.db2.gz ZUISKEAVWXUXDD-UHFFFAOYSA-N 0 1 443.613 4.280 40 0 IIABMN CCOC(=O)c1cc(NS(=O)(=O)c2cc(Br)ccc2OC)ccc1Cl ZINC000225671927 557760701 /nfs/dbraw/zinc/76/07/01/557760701.db2.gz ADNQTEBZPTTWOB-UHFFFAOYSA-N 0 1 448.722 4.089 40 0 IIABMN Cc1cc(C)cc(C2(C(=O)N3CC[C@@H](c4[nH]ncc4-c4ccnc(N)c4)C3)CCCC2)c1 ZINC000257200047 568665131 /nfs/dbraw/zinc/66/51/31/568665131.db2.gz ABUKNHDYAVVKMQ-HXUWFJFHSA-N 0 1 429.568 4.499 40 0 IIABMN O=C(CC1CCCCC1)N1CCC(c2[nH]ncc2C(=O)N2CCc3ccccc3C2)CC1 ZINC000257202354 568666163 /nfs/dbraw/zinc/66/61/63/568666163.db2.gz ALJZYMCWAXRNPH-UHFFFAOYSA-N 0 1 434.584 4.285 40 0 IIABMN CCOc1cc2c(cc1CN1CCC(c3cncc(Nc4ncccn4)n3)CC1)O[C@H](C)C2 ZINC000257212444 568671022 /nfs/dbraw/zinc/67/10/22/568671022.db2.gz CDKWJHNKCGXHSY-QGZVFWFLSA-N 0 1 446.555 4.112 40 0 IIABMN Cc1cc(C)nc(N2CCO[C@@H](c3cc(CCOc4ccc(C(F)(F)F)cc4)[nH]n3)C2)n1 ZINC000257218728 568673741 /nfs/dbraw/zinc/67/37/41/568673741.db2.gz DEGBOYSFQSCVRC-HXUWFJFHSA-N 0 1 447.461 4.035 40 0 IIABMN CC(C)NC(=O)C1(Cc2cccc(-c3cccs3)c2)CCN(Cc2cnn(C)c2)CC1 ZINC000257218803 568673760 /nfs/dbraw/zinc/67/37/60/568673760.db2.gz DELXYSZHLKTBIM-UHFFFAOYSA-N 0 1 436.625 4.498 40 0 IIABMN CCOc1cc2c(cc1CNc1cc(-c3cn[nH]c3[C@H]3CCN(C(C)=O)C3)ccn1)CCC2 ZINC000257259717 568692995 /nfs/dbraw/zinc/69/29/95/568692995.db2.gz KZQOYTJBOYSRNM-NRFANRHFSA-N 0 1 445.567 4.307 40 0 IIABMN Cc1csc(Nc2cc(C)nc([C@@H]3CCCN(S(=O)(=O)c4c(C)noc4C)C3)c2)n1 ZINC000257263265 568694729 /nfs/dbraw/zinc/69/47/29/568694729.db2.gz LPBDVPATQLOVFD-MRXNPFEDSA-N 0 1 447.586 4.072 40 0 IIABMN Cc1cc(C[C@H]2CC[C@@H]3CN(CC(=O)Nc4ccc(Oc5cccnc5)cc4)C[C@H]23)ncn1 ZINC000257301455 568711858 /nfs/dbraw/zinc/71/18/58/568711858.db2.gz RYMPTYYIRFQKMU-UMEGOILYSA-N 0 1 443.551 4.112 40 0 IIABMN Cc1nc([C@@H]2CCCN(Cc3ccncc3)C2)nc(C)c1CC(=O)Nc1ccccc1F ZINC000257331479 568725189 /nfs/dbraw/zinc/72/51/89/568725189.db2.gz XTAUYLUZOXTTQB-HXUWFJFHSA-N 0 1 433.531 4.188 40 0 IIABMN O=C(N=c1sccn1Cc1ccc(Cl)cc1Cl)c1cnc2ccccc2c1O ZINC000102807242 568889286 /nfs/dbraw/zinc/88/92/86/568889286.db2.gz SXILBLJACUYLNX-GFMRDNFCSA-N 0 1 430.316 4.487 40 0 IIABMN CC[C@@H](C)Oc1c(Cl)cc(/C=C2\C(=O)NC(=S)N(c3ccccc3)C2=O)cc1OC ZINC000009973108 569220239 /nfs/dbraw/zinc/22/02/39/569220239.db2.gz BRUCODSCEXRUSD-BVTUPMQUSA-N 0 1 444.940 4.357 40 0 IIABMN CC(=O)NCCn1nc([C@@H]2CCCN(Cc3cccc(Cl)c3Cl)C2)c2cccnc21 ZINC000012219520 569224954 /nfs/dbraw/zinc/22/49/54/569224954.db2.gz LZABBTJKHPFIIK-QGZVFWFLSA-N 0 1 446.382 4.254 40 0 IIABMN COc1ccc(C)cc1CN1CCC[C@@H]([C@@H](NC(=O)c2ccccn2)c2nccs2)C1 ZINC000019133398 569226119 /nfs/dbraw/zinc/22/61/19/569226119.db2.gz UIALLSRHFRDELP-XMSQKQJNSA-N 0 1 436.581 4.238 40 0 IIABMN COCCNC(=O)c1sc2ncccc2c1[C@@H]1CCN(Cc2ccccc2Cl)C1 ZINC000019701948 569231593 /nfs/dbraw/zinc/23/15/93/569231593.db2.gz UVUZAMFTSJVITJ-MRXNPFEDSA-N 0 1 429.973 4.315 40 0 IIABMN COCCNC(=O)c1sc2ncccc2c1[C@H]1CCN(Cc2ccccc2Cl)C1 ZINC000019701949 569231671 /nfs/dbraw/zinc/23/16/71/569231671.db2.gz UVUZAMFTSJVITJ-INIZCTEOSA-N 0 1 429.973 4.315 40 0 IIABMN O=C(COc1ccccc1)N1CC[C@@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019705026 569233793 /nfs/dbraw/zinc/23/37/93/569233793.db2.gz DKAIIGGZIAPQOY-GOSISDBHSA-N 0 1 445.498 4.104 40 0 IIABMN O=C(COc1ccccc1)N1CC[C@H](c2ccc3c(n[nH]c3NCc3ccc(F)cc3)n2)C1 ZINC000019705027 569233833 /nfs/dbraw/zinc/23/38/33/569233833.db2.gz DKAIIGGZIAPQOY-SFHVURJKSA-N 0 1 445.498 4.104 40 0 IIABMN Cc1nc(C2CCN(Cc3cccnc3N(C)C)CC2)ncc1C(=O)Nc1ccc(F)cc1 ZINC000019763947 569238255 /nfs/dbraw/zinc/23/82/55/569238255.db2.gz YQXDLMOXGQGOFE-UHFFFAOYSA-N 0 1 448.546 4.017 40 0 IIABMN CCc1ccc(NC(=O)CSc2nc(-c3cc(Br)ccc3O)n[nH]2)cc1 ZINC000038178965 569248767 /nfs/dbraw/zinc/24/87/67/569248767.db2.gz IGIHKNZGLOOIHM-UHFFFAOYSA-N 0 1 433.331 4.233 40 0 IIABMN COc1ccccc1[C@H]1c2c(O)n(-c3ccc(Cl)cc3)c(O)c2ON1c1ccccc1 ZINC000018067662 569284749 /nfs/dbraw/zinc/28/47/49/569284749.db2.gz HKVSAYZUUFBPRN-FKBYEOEOSA-N 0 1 434.879 4.400 40 0 IIABMN CN(CCO)C(=O)c1cc([C@H]2CCN(Cc3ccc(Cl)c(F)c3)C2)nc2ccccc21 ZINC000019761721 569328672 /nfs/dbraw/zinc/32/86/72/569328672.db2.gz ZPVYLGKBVWAAKS-KRWDZBQOSA-N 0 1 441.934 4.081 40 0 IIABMN O=S(=O)(NC[C@@H](NCCOc1ccccc1)c1ccccc1)c1ccc(Cl)cc1 ZINC000059121227 569459213 /nfs/dbraw/zinc/45/92/13/569459213.db2.gz WHZMKPBLYZUEBD-JOCHJYFZSA-N 0 1 430.957 4.028 40 0 IIABMN