smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name OCC[C@H]1CC12CCN(c1nc(CN3CCOCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164392366 718811621 /nfs/dbraw/zinc/81/16/21/718811621.db2.gz LXDGGQRIGIQRHX-INIZCTEOSA-N 0 0 428.602 3.001 20 0 IGADRN CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2C[C@@H]3CC(F)(F)[C@H]3C2)C1=O ZINC001164409765 718870354 /nfs/dbraw/zinc/87/03/54/718870354.db2.gz TZBDDKMRRCHUPF-MJLGCCKJSA-N 0 0 429.874 3.108 20 0 IGADRN CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2C[C@H]3[C@H](CC3(F)F)C2)C1=O ZINC001164409768 718870373 /nfs/dbraw/zinc/87/03/73/718870373.db2.gz TZBDDKMRRCHUPF-RGIROJJOSA-N 0 0 429.874 3.108 20 0 IGADRN COCCN1C(=O)[C@H](c2ccccc2)CC12CCN([C@@H](F)Oc1cncc(Cl)n1)CC2 ZINC001164427974 718954358 /nfs/dbraw/zinc/95/43/58/718954358.db2.gz HDDFYCDNRSIVAI-LAUBAEHRSA-N 0 0 448.926 3.259 20 0 IGADRN CCOC(=O)[C@]12CCO[C@H]1CCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164434707 718978922 /nfs/dbraw/zinc/97/89/22/718978922.db2.gz VEDUAHXUIGKJFI-SBUREZEXSA-N 0 0 444.601 3.452 20 0 IGADRN Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC001164634825 719235676 /nfs/dbraw/zinc/23/56/76/719235676.db2.gz HJXYPXCAXCAECA-DLBZAZTESA-N 0 0 425.558 3.268 20 0 IGADRN Cc1ccccc1S(=O)(=O)[N-]c1nc2ccccc2nc1N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC001164632041 719236901 /nfs/dbraw/zinc/23/69/01/719236901.db2.gz HTDGSCLKTADEDH-SJORKVTESA-N 0 0 425.558 3.268 20 0 IGADRN CC(C)c1nccc([C@@H]2C[C@H]3CCN(c4nc(Cl)nc5c4CN(C)CC5)C[C@H]3O2)n1 ZINC001164642699 719263438 /nfs/dbraw/zinc/26/34/38/719263438.db2.gz YHOQYFJABDRQNJ-MDASCCDHSA-N 0 0 428.968 3.388 20 0 IGADRN COCCN1CCN(C)C2(CCN(c3ccc4c(Cl)ccc(Cl)c4n3)CC2)C1=O ZINC001164644902 719284248 /nfs/dbraw/zinc/28/42/48/719284248.db2.gz WLUXOYOLBBUJJE-UHFFFAOYSA-N 0 0 437.371 3.301 20 0 IGADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[C@@H](c4nc(C)no4)O[C@@H]3C2)c1 ZINC001164653843 719299574 /nfs/dbraw/zinc/29/95/74/719299574.db2.gz QJLKGVOUZQTQNE-KGYLQXTDSA-N 0 0 428.823 3.114 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)C[C@H]2CCCO[C@@H]21 ZINC001164656699 719302399 /nfs/dbraw/zinc/30/23/99/719302399.db2.gz YAVLLBCGIVFKEI-QBIMZIAESA-N 0 0 436.890 3.434 20 0 IGADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(C)nc(Cl)c2)C[C@@H]2CCCO[C@H]12 ZINC001164650491 719318235 /nfs/dbraw/zinc/31/82/35/719318235.db2.gz DZVLOXZUTVOUAH-XCRHUMRWSA-N 0 0 440.878 3.299 20 0 IGADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)C[C@H]2CCCO[C@@H]21 ZINC001164652738 719319450 /nfs/dbraw/zinc/31/94/50/719319450.db2.gz LHQWZZICDMBFRG-XFJVYGCCSA-N 0 0 444.841 3.129 20 0 IGADRN O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(C(F)(F)c3cccnc3Cl)C2)C1 ZINC001164650238 719321211 /nfs/dbraw/zinc/32/12/11/719321211.db2.gz CSOWKQJITIRSKY-IBGZPJMESA-N 0 0 438.837 3.461 20 0 IGADRN O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN([C@@H](F)Oc3cccc(Cl)n3)C2)C1 ZINC001164651391 719321899 /nfs/dbraw/zinc/32/18/99/719321899.db2.gz HCKSWJKVZWQYNR-UXHICEINSA-N 0 0 436.846 3.043 20 0 IGADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCCO[C@H]3[C@@H](NC(=O)CC3CC3)C2)n1 ZINC001164654458 719324125 /nfs/dbraw/zinc/32/41/25/719324125.db2.gz LXFFBBGNNYPPAX-GDZNZVCISA-N 0 0 446.951 3.297 20 0 IGADRN COc1ccc(C(F)(F)N2C[C@@H](NC(=O)CC3CC3)[C@@H]3OCCC[C@H]3C2)nc1Cl ZINC001164653789 719324956 /nfs/dbraw/zinc/32/49/56/719324956.db2.gz IJVHAMHTRAEJTE-PMUMKWKESA-N 0 0 429.895 3.189 20 0 IGADRN FC(F)(c1nc(Cl)ncc1Cl)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001164652659 719327737 /nfs/dbraw/zinc/32/77/37/719327737.db2.gz DITBQZYGLCGDEJ-UHFFFAOYSA-N 0 0 442.257 3.304 20 0 IGADRN CN(C)C(=O)COCc1noc2c1CN(C(F)(F)c1ccc(Cl)nc1Cl)CC2 ZINC001164663649 719340951 /nfs/dbraw/zinc/34/09/51/719340951.db2.gz ZRCCZOFWFDYIBE-UHFFFAOYSA-N 0 0 435.258 3.089 20 0 IGADRN CN(C)C(=O)COCc1noc2c1CN(C(F)(F)c1cnc(Cl)c(C3CC3)c1)CC2 ZINC001164661629 719341898 /nfs/dbraw/zinc/34/18/98/719341898.db2.gz LZHNSLQEONDYTN-UHFFFAOYSA-N 0 0 440.878 3.313 20 0 IGADRN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCO[C@H]2[C@H]1CC[C@@H]2OCC1CCCC1 ZINC001164663591 719344032 /nfs/dbraw/zinc/34/40/32/719344032.db2.gz YOBKAEKKAOODEZ-IPYPFGDCSA-N 0 0 427.883 3.446 20 0 IGADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3ncn(C)c3n1)CC2 ZINC001164663910 719349134 /nfs/dbraw/zinc/34/91/34/719349134.db2.gz OYADOZLNHMMARW-UHFFFAOYSA-N 0 0 428.544 3.058 20 0 IGADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ccc(NC(N)=S)cn1)CC2 ZINC001164658557 719355148 /nfs/dbraw/zinc/35/51/48/719355148.db2.gz IVEYAVUXNVCCGT-UHFFFAOYSA-N 0 0 447.612 3.432 20 0 IGADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164662418 719361770 /nfs/dbraw/zinc/36/17/70/719361770.db2.gz COPPYDOPLSSFNQ-CYBMUJFWSA-N 0 0 435.866 3.099 20 0 IGADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164665479 719362103 /nfs/dbraw/zinc/36/21/03/719362103.db2.gz XIPYKYPQPVROLD-LLVKDONJSA-N 0 0 438.866 3.198 20 0 IGADRN CC1CCN(Cc2nc3scc(-c4cccs4)c3c(N(C)C[C@@H](O)CO)n2)CC1 ZINC001164670058 719366169 /nfs/dbraw/zinc/36/61/69/719366169.db2.gz SMBQKRVAFJSEIR-OAHLLOKOSA-N 0 0 432.615 3.441 20 0 IGADRN CCOC(=O)c1cnc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)c(OC)c1 ZINC001164673997 719515692 /nfs/dbraw/zinc/51/56/92/719515692.db2.gz XYTWSYOYYRJHCY-UHFFFAOYSA-N 0 0 443.519 3.277 20 0 IGADRN O=C([C@H]1CN(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)CC12CCOCC2)N1CC=CC1 ZINC001164676695 719559565 /nfs/dbraw/zinc/55/95/65/719559565.db2.gz FCULLDSDLWZUIE-OAHLLOKOSA-N 0 0 436.890 3.393 20 0 IGADRN O=C([C@@H]1CN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)CC12CCOCC2)N1CC=CC1 ZINC001164676401 719561608 /nfs/dbraw/zinc/56/16/08/719561608.db2.gz ABMTVPZTHPQMDW-AWEZNQCLSA-N 0 0 448.297 3.445 20 0 IGADRN Clc1nc(Cl)c(N2CCn3c(CN4CCOCC4)nnc3C2)c(Cl)c1Cl ZINC001164676362 719574998 /nfs/dbraw/zinc/57/49/98/719574998.db2.gz CIWYJJULIWQVOK-UHFFFAOYSA-N 0 0 438.146 3.139 20 0 IGADRN Cn1ncc2c1CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C[C@H]2COc1cccnc1 ZINC001164684807 719598642 /nfs/dbraw/zinc/59/86/42/719598642.db2.gz JZTDFHXUPIFTMA-ZDUSSCGKSA-N 0 0 446.889 3.475 20 0 IGADRN FC(F)(N1CCc2nnc(COc3ccccn3)n2CC1)C1(c2ccnc(Cl)c2)CC1 ZINC001164685602 719687258 /nfs/dbraw/zinc/68/72/58/719687258.db2.gz LGWKUKICEBRSGH-UHFFFAOYSA-N 0 0 446.889 3.483 20 0 IGADRN O=C1C[C@@H]2[C@H](CCN2C(Cl)(Cl)Oc2ccc(Cl)nc2)N1Cc1cccnc1 ZINC001164690997 719775941 /nfs/dbraw/zinc/77/59/41/719775941.db2.gz JVTAHRXJPNYQFL-LSDHHAIUSA-N 0 0 427.719 3.473 20 0 IGADRN O=C1C[C@H]2[C@H](CCN2C(Cl)(Cl)Oc2ccc(Cl)nc2)N1Cc1cccnc1 ZINC001164690995 719776585 /nfs/dbraw/zinc/77/65/85/719776585.db2.gz JVTAHRXJPNYQFL-GJZGRUSLSA-N 0 0 427.719 3.473 20 0 IGADRN O=C(NCCc1ccccn1)[C@@H]1C[C@H]2CCN(C(F)(F)c3cccc(Cl)n3)C[C@@H]2O1 ZINC001164703992 719817140 /nfs/dbraw/zinc/81/71/40/719817140.db2.gz WSNTVCKFWKOREZ-PVAVHDDUSA-N 0 0 436.890 3.018 20 0 IGADRN Cc1ccc(C(F)(F)N2Cc3nnn(C)c3[C@@H](COCc3cccnc3)C2)nc1Cl ZINC001164693380 719835273 /nfs/dbraw/zinc/83/52/73/719835273.db2.gz AOAHELMDECFHOF-OAHLLOKOSA-N 0 0 434.878 3.432 20 0 IGADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(F)(F)c1cnc(Cl)c(Cl)c1 ZINC001164705796 719840816 /nfs/dbraw/zinc/84/08/16/719840816.db2.gz VSOKCQZNXIKROG-CXAGYDPISA-N 0 0 438.302 3.166 20 0 IGADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc2ccc(Cl)cc2nc1Cl ZINC001164701524 719849600 /nfs/dbraw/zinc/84/96/00/719849600.db2.gz MIXVMUWRGNSHNU-VBKZILBWSA-N 0 0 439.343 3.169 20 0 IGADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1cc2nc(Cl)cnc2cc1Cl ZINC001164698360 719851438 /nfs/dbraw/zinc/85/14/38/719851438.db2.gz BQEPQRLIOLELIL-ZUOKHONESA-N 0 0 439.343 3.169 20 0 IGADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc(Cl)ncc1-c1ccccc1 ZINC001164705614 719855436 /nfs/dbraw/zinc/85/54/36/719855436.db2.gz UUQGDXBOUDXTCZ-JTSKRJEESA-N 0 0 430.936 3.030 20 0 IGADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc(N2CCCC2)cc2ccccc21 ZINC001164707611 719870834 /nfs/dbraw/zinc/87/08/34/719870834.db2.gz UKCDDEZOXQBLLI-CJFMBICVSA-N 0 0 438.572 3.068 20 0 IGADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1c1nnc(Cl)c2ccc(Cl)cc21 ZINC001164708218 719874360 /nfs/dbraw/zinc/87/43/60/719874360.db2.gz YRKPOTVUNWVLHW-VBKZILBWSA-N 0 0 439.343 3.169 20 0 IGADRN O=C([C@@H]1COC[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@@H]21)N1CCCCO1 ZINC001164706517 719911530 /nfs/dbraw/zinc/91/15/30/719911530.db2.gz IWKSUSTTXPHDRK-FPMFFAJLSA-N 0 0 436.286 3.186 20 0 IGADRN O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc43)C[C@@H]21)N1CCCCO1 ZINC001164707503 719916263 /nfs/dbraw/zinc/91/62/63/719916263.db2.gz RUVJMWJGZXZGIA-VHDGCEQUSA-N 0 0 440.878 3.014 20 0 IGADRN O=C([C@@H]1COC[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc34)C[C@H]21)N1CCCCO1 ZINC001164707501 719916663 /nfs/dbraw/zinc/91/66/63/719916663.db2.gz RUVJMWJGZXZGIA-BPLDGKMQSA-N 0 0 440.878 3.014 20 0 IGADRN FC(F)(c1ccc2cnc(Cl)nc2c1)N1CCOC[C@@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164809204 720049139 /nfs/dbraw/zinc/04/91/39/720049139.db2.gz ZFTYDKKWMLAKCS-FXAWDEMLSA-N 0 0 449.889 3.479 20 0 IGADRN FC(F)(Oc1ccc(Cl)nc1Cl)N1CCOC[C@]2(CC[C@H](Cn3cccn3)O2)C1 ZINC001164805200 720052115 /nfs/dbraw/zinc/05/21/15/720052115.db2.gz NGIVFNHLNPMKEP-DYVFJYSZSA-N 0 0 449.285 3.464 20 0 IGADRN Cc1noc([C@@]23COC[C@@H]2CN(C(F)(F)c2cc(-c4ccccc4)nnc2Cl)C3)n1 ZINC001164809254 720060959 /nfs/dbraw/zinc/06/09/59/720060959.db2.gz ZQAXPFKBMZLOMB-LIRRHRJNSA-N 0 0 433.846 3.438 20 0 IGADRN Cc1noc([C@]23COC[C@H]2CN(C(F)(F)c2cnc(Cl)c(-c4cccnc4)c2)C3)n1 ZINC001164806452 720062534 /nfs/dbraw/zinc/06/25/34/720062534.db2.gz RUMNVWSZVWBRFX-DNVCBOLYSA-N 0 0 433.846 3.438 20 0 IGADRN Cc1nc(CN2C(=O)CC[C@@H]3[C@H]2CCN3C(F)(F)c2cc[n+]([O-])c(Cl)c2)cs1 ZINC001164817205 720260713 /nfs/dbraw/zinc/26/07/13/720260713.db2.gz PWZKDPGONJKWTJ-HUUCEWRRSA-N 0 0 428.892 3.053 20 0 IGADRN O=C([C@H]1Cn2nccc2CN(C(F)(F)c2cc(Cl)ncc2Cl)C1)N1CCCC1 ZINC001164815753 720261948 /nfs/dbraw/zinc/26/19/48/720261948.db2.gz DZGNSHNENOABFR-GFCCVEGCSA-N 0 0 430.286 3.389 20 0 IGADRN O=C([C@@H]1Cn2nccc2CN(C(F)(F)c2cccc3c(Cl)ncnc32)C1)N1CCCC1 ZINC001164818108 720266749 /nfs/dbraw/zinc/26/67/49/720266749.db2.gz IEDWQQLVCDUXFD-AWEZNQCLSA-N 0 0 446.889 3.283 20 0 IGADRN O=C([C@H]1Cn2nccc2CN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)C1)N1CCCC1 ZINC001164818475 720268331 /nfs/dbraw/zinc/26/83/31/720268331.db2.gz LRUHOZWGWMFVKB-OAHLLOKOSA-N 0 0 435.906 3.310 20 0 IGADRN O=C([C@@H]1Cn2nccc2CN(C(F)(F)c2cc(Cl)nc3c2CCC3)C1)N1CCCC1 ZINC001164818771 720269081 /nfs/dbraw/zinc/26/90/81/720269081.db2.gz MTQMZQBORHQNHO-AWEZNQCLSA-N 0 0 435.906 3.224 20 0 IGADRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(F)(F)c1nc(Cl)cc(Cl)n1 ZINC001164723982 720312133 /nfs/dbraw/zinc/31/21/33/720312133.db2.gz PWSVIHJYDRTRIL-LBPRGKRZSA-N 0 0 433.290 3.346 20 0 IGADRN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1c1nc(Cl)ccc1CN1CCCC1 ZINC001164721907 720314672 /nfs/dbraw/zinc/31/46/72/720314672.db2.gz IVFFYEQCVXKFDA-IBGZPJMESA-N 0 0 430.984 3.348 20 0 IGADRN CSc1ccc(C(F)(F)N2CC[C@@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)nc1Cl ZINC001164723950 720321574 /nfs/dbraw/zinc/32/15/74/720321574.db2.gz PUSGAPAVPPZZJT-MCIONIFRSA-N 0 0 449.951 3.233 20 0 IGADRN CCOC(=O)c1cnc(C(F)(F)N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc1Cl ZINC001164724934 720336611 /nfs/dbraw/zinc/33/66/11/720336611.db2.gz LVFHTXSDGUFFIE-CVEARBPZSA-N 0 0 437.878 3.100 20 0 IGADRN Cc1nc(CN2CCN(C)C3(CCN(c4ncc(F)c5ccccc54)CC3)C2=O)cs1 ZINC001164820669 720371605 /nfs/dbraw/zinc/37/16/05/720371605.db2.gz QMHCLKPNGSZUDN-UHFFFAOYSA-N 0 0 439.560 3.452 20 0 IGADRN Cc1nc(CO[C@@H]2CN(C(F)(F)Oc3cnc(Cl)cn3)[C@@H]3CCCO[C@H]23)cs1 ZINC001164822971 720392940 /nfs/dbraw/zinc/39/29/40/720392940.db2.gz OEUNMKUBHKLPJA-IOASZLSFSA-N 0 0 432.880 3.273 20 0 IGADRN CSc1ccc(C(F)(F)N2CCCn3nnc(Cn4ccnc4)c3C2)nc1Cl ZINC001164828187 720397670 /nfs/dbraw/zinc/39/76/70/720397670.db2.gz ITFHUSUGMOMPMA-UHFFFAOYSA-N 0 0 425.896 3.248 20 0 IGADRN Cc1noc([C@@H]2CC[C@@H]3[C@@H](CCN3C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)O2)n1 ZINC001164828640 720402856 /nfs/dbraw/zinc/40/28/56/720402856.db2.gz JWARODAWAYIBFH-MCIONIFRSA-N 0 0 440.882 3.466 20 0 IGADRN O=C(Nc1cccnc1)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001164724357 720498105 /nfs/dbraw/zinc/49/81/05/720498105.db2.gz FGHFIISALOXPIW-RDTXWAMCSA-N 0 0 426.826 3.438 20 0 IGADRN O=C(Nc1cccnc1)[C@]12CCO[C@H]1CCN(C(F)(F)c1nc(Cl)cc(Cl)n1)C2 ZINC001164728271 720498368 /nfs/dbraw/zinc/49/83/68/720498368.db2.gz OVKOSFXJJUIMAF-SJCJKPOMSA-N 0 0 444.269 3.347 20 0 IGADRN O=C(Nc1cccnc1)[C@]12CCO[C@@H]1CCN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164728189 720498928 /nfs/dbraw/zinc/49/89/28/720498928.db2.gz NVWRBSGAKTWLKK-DYVFJYSZSA-N 0 0 444.269 3.347 20 0 IGADRN O=C(C[C@@H]1OC[C@@H]2CN(C(F)(F)Oc3cccnc3Cl)CC[C@@H]21)N1CCCCC1 ZINC001164830660 720499039 /nfs/dbraw/zinc/49/90/39/720499039.db2.gz CIXNNPQDCAQUGQ-ZOBUZTSGSA-N 0 0 429.895 3.404 20 0 IGADRN COc1ccc(C(F)(F)N2CC[C@@H]3OCC[C@]3(C(=O)Nc3cccnc3)C2)nc1Cl ZINC001164726203 720501451 /nfs/dbraw/zinc/50/14/51/720501451.db2.gz KRJOZXFGIFYNNH-LPHOPBHVSA-N 0 0 438.862 3.308 20 0 IGADRN Cc1cc(C(F)(F)N2CC[C@@H]3[C@@H](CO[C@@H]3CC(=O)N3CCCCC3)C2)c(Cl)nn1 ZINC001164838489 720502503 /nfs/dbraw/zinc/50/25/03/720502503.db2.gz RNCGVRNPMYAKJH-BFYDXBDKSA-N 0 0 428.911 3.227 20 0 IGADRN 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/nfs/dbraw/zinc/18/21/80/722182180.db2.gz QUPWTTMWPCLXMR-UONOGXRCSA-N 0 0 436.994 3.374 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5cc(Cl)cnc54)CC[C@@H]32)cs1 ZINC001164993593 722183679 /nfs/dbraw/zinc/18/36/79/722183679.db2.gz WTIDYATYSPLWOV-ROUUACIJSA-N 0 0 430.965 3.313 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(C(=O)NC(C)(C)C)ccn4)CC[C@H]32)cs1 ZINC001164990495 722184290 /nfs/dbraw/zinc/18/42/90/722184290.db2.gz NLBSYNFXEGMHCF-WOJBJXKFSA-N 0 0 443.617 3.245 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C(=O)NC(C)(C)C)ccn4)CC[C@@H]32)cs1 ZINC001164990492 722184305 /nfs/dbraw/zinc/18/43/05/722184305.db2.gz NLBSYNFXEGMHCF-PMACEKPBSA-N 0 0 443.617 3.245 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCCCC5)ncn4)CC[C@H]32)cs1 ZINC001164988143 722184996 /nfs/dbraw/zinc/18/49/96/722184996.db2.gz MASOMJXKRCEJEK-WOJBJXKFSA-N 0 0 428.606 3.102 20 0 IGADRN COc1cccc2ncnc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)c21 ZINC001164987069 722185342 /nfs/dbraw/zinc/18/53/42/722185342.db2.gz JCBFLEFHDNTXTI-MOPGFXCFSA-N 0 0 425.558 3.273 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cc[n+]([O-])c(Cl)c4)CC[C@H]32)cs1 ZINC001164989648 722186699 /nfs/dbraw/zinc/18/66/99/722186699.db2.gz PMDOANGASVHDPF-IAGOWNOFSA-N 0 0 444.935 3.153 20 0 IGADRN CC(C)C(=O)NCc1nnc2n1CCCN(C(F)(F)Oc1cc(Cl)nc(Cl)c1)C2 ZINC001164989878 722190310 /nfs/dbraw/zinc/19/03/10/722190310.db2.gz RABKFHPGPKCAJG-UHFFFAOYSA-N 0 0 449.289 3.087 20 0 IGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)[C@H]2C1 ZINC001164996516 722215438 /nfs/dbraw/zinc/21/54/38/722215438.db2.gz NSFNWHNLUBEFBG-AFAVFJNCSA-N 0 0 440.878 3.216 20 0 IGADRN O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(C(F)(F)c1cccnc1Cl)C2 ZINC001164995259 722217815 /nfs/dbraw/zinc/21/78/15/722217815.db2.gz HQEHOSHGEOUBSQ-IBGZPJMESA-N 0 0 435.862 3.107 20 0 IGADRN COCCO[C@@H]1CCN(C(F)(F)Sc2ccc(Cl)nc2)[C@H]1Cc1cnn(C)c1 ZINC001165000032 722225562 /nfs/dbraw/zinc/22/55/62/722225562.db2.gz PBDIGLUWPOHTNR-JKSUJKDBSA-N 0 0 432.924 3.460 20 0 IGADRN COc1cccc2c(N3CCc4ncnc(N5CCN(C)CC5)c4CC3)cc(Cl)nc12 ZINC001164998132 722229248 /nfs/dbraw/zinc/22/92/48/722229248.db2.gz YDMUWIFENYBZJU-UHFFFAOYSA-N 0 0 438.963 3.044 20 0 IGADRN Cn1cccc1C(=O)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)c(Cl)c3)C[C@H]2C1 ZINC001165006539 722242085 /nfs/dbraw/zinc/24/20/85/722242085.db2.gz ZKSMYFAFUPHKFL-MLGOLLRUSA-N 0 0 445.297 3.249 20 0 IGADRN Cn1cccc1C(=O)N1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@@H]2C1 ZINC001165005121 722242401 /nfs/dbraw/zinc/24/24/01/722242401.db2.gz RUGJVEDLLMGGTJ-BLLLJJGKSA-N 0 0 445.297 3.249 20 0 IGADRN Cn1cccc1C(=O)N1CCO[C@@H]2CN(C(F)(F)c3ccnc(Cl)c3Cl)C[C@H]2C1 ZINC001165003621 722242473 /nfs/dbraw/zinc/24/24/73/722242473.db2.gz LDHGQULBBFUJSD-IUODEOHRSA-N 0 0 445.297 3.249 20 0 IGADRN CSc1nc2sccc2c(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1 ZINC001165005481 722260750 /nfs/dbraw/zinc/26/07/50/722260750.db2.gz XNIZFAOSDKIQMD-NRFANRHFSA-N 0 0 443.573 3.480 20 0 IGADRN Cc1cc(C(F)(F)N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)nc(Cl)n1 ZINC001165003611 722262948 /nfs/dbraw/zinc/26/29/48/722262948.db2.gz IXZAYPUOCHOBST-IBGZPJMESA-N 0 0 439.869 3.050 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncc3c(Cl)cccc3n1)C2 ZINC001165008142 722265286 /nfs/dbraw/zinc/26/52/86/722265286.db2.gz VOGNZKVPQYRVDC-JOCHJYFZSA-N 0 0 425.895 3.350 20 0 IGADRN COc1ccccc1-c1ccnc(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1 ZINC001165007066 722268843 /nfs/dbraw/zinc/26/88/43/722268843.db2.gz UJAJTRYYPUALFF-VWLOTQADSA-N 0 0 447.514 3.219 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc(-c3ccc(F)cc3)nn1)C2 ZINC001165005568 722269179 /nfs/dbraw/zinc/26/91/79/722269179.db2.gz ICHZUVFLTNKCIC-DEOSSOPVSA-N 0 0 435.478 3.349 20 0 IGADRN CCc1nc2sccc2c(N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)n1 ZINC001165006652 722269821 /nfs/dbraw/zinc/26/98/21/722269821.db2.gz POQUEAMYECGOTJ-QFIPXVFZSA-N 0 0 425.533 3.320 20 0 IGADRN Cc1nc(CO[C@H]2COC3(C2)CCN(c2ccc(CN4CCOCC4)cn2)CC3)cs1 ZINC001165006311 722272315 /nfs/dbraw/zinc/27/23/15/722272315.db2.gz NGQUESGPAQZYDA-OAQYLSRUSA-N 0 0 444.601 3.023 20 0 IGADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)ncn2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165011219 722273362 /nfs/dbraw/zinc/27/33/62/722273362.db2.gz ZFXFFYSWZRZKHE-ZXYWRSMDSA-N 0 0 437.878 3.473 20 0 IGADRN COc1cc(-c2nnc(CSc3nnc4nc(C)cc(C)n43)o2)cc(OC)c1OC ZINC000002621099 562928511 /nfs/dbraw/zinc/92/85/11/562928511.db2.gz UGFBWXZCHPJGCS-UHFFFAOYSA-N 0 0 428.474 3.109 20 0 IGADRN O=C(N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)Cc1ccccc1)c1ccc(Cl)cc1 ZINC000040915124 563111255 /nfs/dbraw/zinc/11/12/55/563111255.db2.gz YSCOTQJBKVTUOG-GOTSBHOMSA-N 0 0 436.939 3.401 20 0 IGADRN COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(OCC(C)C)cc1 ZINC000096938675 563199921 /nfs/dbraw/zinc/19/99/21/563199921.db2.gz BGMSQSFKFLJKDD-OAQYLSRUSA-N 0 0 430.526 3.265 20 0 IGADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3C(=O)c4ccccc4[C@H]3C2)cnc1Cl ZINC001164410080 718850336 /nfs/dbraw/zinc/85/03/36/718850336.db2.gz YQFJTNVGJGVULY-CABCVRRESA-N 0 0 426.872 3.490 20 0 IGADRN Cc1cccc(CN2C(=O)COC3(CCN([C@H](F)Oc4ccnc(Cl)c4)CC3)[C@@H]2C)n1 ZINC001164429997 718950057 /nfs/dbraw/zinc/95/00/57/718950057.db2.gz RKBGALRFPYIRPB-KKSFZXQISA-N 0 0 448.926 3.352 20 0 IGADRN Cc1cccc(CN2C(=O)COC3(CCN([C@@H](F)Oc4cccc(Cl)n4)CC3)[C@@H]2C)n1 ZINC001164428902 718950832 /nfs/dbraw/zinc/95/08/32/718950832.db2.gz LUIGGLLHVQXXMB-HRAATJIYSA-N 0 0 448.926 3.352 20 0 IGADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164435022 718978811 /nfs/dbraw/zinc/97/88/11/718978811.db2.gz XPMCYHPATZLOFC-DNVCBOLYSA-N 0 0 438.862 3.285 20 0 IGADRN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(F)(F)c2cccnc2Cl)C3)nn1 ZINC001164639735 719263793 /nfs/dbraw/zinc/26/37/93/719263793.db2.gz RBLQKUOWMHHZGF-BEFAXECRSA-N 0 0 439.894 3.102 20 0 IGADRN Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(F)(F)c2ccc(Cl)nc2)C3)nn1 ZINC001164635201 719263922 /nfs/dbraw/zinc/26/39/22/719263922.db2.gz HYKJIAWUHARKBO-KXBFYZLASA-N 0 0 439.894 3.102 20 0 IGADRN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(F)(F)c2ccnc(Cl)c2)C3)nn1 ZINC001164633382 719263984 /nfs/dbraw/zinc/26/39/84/719263984.db2.gz CCLYGDBXBGTHCA-DNVCBOLYSA-N 0 0 439.894 3.102 20 0 IGADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CC[C@@H]3C[C@H](c4nc(C)no4)O[C@H]3C2)c1 ZINC001164653849 719299570 /nfs/dbraw/zinc/29/95/70/719299570.db2.gz QJLKGVOUZQTQNE-RTXFEEFZSA-N 0 0 428.823 3.114 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)C[C@@H]2CCCO[C@H]12 ZINC001164648680 719305672 /nfs/dbraw/zinc/30/56/72/719305672.db2.gz QQMQMBHZOSVNPQ-PPHDSNJXSA-N 0 0 436.286 3.419 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)Oc2cc(Cl)nc(Cl)c2)C[C@@H]2CCCO[C@@H]12 ZINC001164648685 719305848 /nfs/dbraw/zinc/30/58/48/719305848.db2.gz QQMQMBHZOSVNPQ-XTQGRXLLSA-N 0 0 436.286 3.419 20 0 IGADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2F)C[C@H]2CCCO[C@@H]21 ZINC001164655783 719319448 /nfs/dbraw/zinc/31/94/48/719319448.db2.gz YHQMDOXLGNVASU-JGFGOQIWSA-N 0 0 444.841 3.129 20 0 IGADRN F[C@@H](Oc1ccc(Cl)nn1)N1CCc2c(c(COc3cccnc3)nn2CC2CC2)C1 ZINC001164652056 719323403 /nfs/dbraw/zinc/32/34/03/719323403.db2.gz AUZNRQLKMPECTD-OAQYLSRUSA-N 0 0 444.898 3.401 20 0 IGADRN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CCO[C@@H]2[C@@H](OCC3CCCC3)CC[C@@H]21 ZINC001164663593 719344299 /nfs/dbraw/zinc/34/42/99/719344299.db2.gz YOBKAEKKAOODEZ-YDHLFZDLSA-N 0 0 427.883 3.446 20 0 IGADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)nc(COC)n1)CC2 ZINC001164663008 719356308 /nfs/dbraw/zinc/35/63/08/719356308.db2.gz BTNDSUANXUGIOV-UHFFFAOYSA-N 0 0 448.571 3.326 20 0 IGADRN CCN(CC)C(=O)c1nc2c(s1)CCN(C(F)(F)c1cnc(Cl)cc1N)CC2 ZINC001164664927 719359565 /nfs/dbraw/zinc/35/95/65/719359565.db2.gz SQBVAIWJGZEBEQ-UHFFFAOYSA-N 0 0 429.924 3.406 20 0 IGADRN CCn1nnc2c1[C@H](COC)CN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164665929 719361636 /nfs/dbraw/zinc/36/16/36/719361636.db2.gz ZOBSVKJCICLGEC-INIZCTEOSA-N 0 0 441.605 3.266 20 0 IGADRN COCCn1ccc2c1ncnc2N1CCC2(CC1)COCCN2Cc1ccc(F)cc1 ZINC001164670257 719511459 /nfs/dbraw/zinc/51/14/59/719511459.db2.gz CPIGNRHYBHIMJA-UHFFFAOYSA-N 0 0 439.535 3.088 20 0 IGADRN O=C([C@H]1CN(C(F)(F)Oc2ccc(Cl)nc2Cl)CC12CCOCC2)N1CC=CC1 ZINC001164677633 719561237 /nfs/dbraw/zinc/56/12/37/719561237.db2.gz PXIWAFSJZIFEAH-CYBMUJFWSA-N 0 0 448.297 3.445 20 0 IGADRN Cc1nc(CN2C(=O)CCC23CCN([C@@H](F)Oc2cncc(Cl)n2)CC3)cs1 ZINC001164685733 719594644 /nfs/dbraw/zinc/59/46/44/719594644.db2.gz MDDJBYXVKANCTL-QGZVFWFLSA-N 0 0 425.917 3.184 20 0 IGADRN CN(C)c1cc(Cl)nc(C(F)(F)N2Cc3c(cnn3C)[C@H](COc3cccnc3)C2)n1 ZINC001164687130 719595525 /nfs/dbraw/zinc/59/55/25/719595525.db2.gz REKNCXHMZYPGCW-ZDUSSCGKSA-N 0 0 449.893 3.052 20 0 IGADRN Cn1ncc2c1CN(C(F)(F)c1c3c(nnc1Cl)CCC3)C[C@@H]2COc1cccnc1 ZINC001164684803 719598404 /nfs/dbraw/zinc/59/84/04/719598404.db2.gz JZTDFHXUPIFTMA-CYBMUJFWSA-N 0 0 446.889 3.475 20 0 IGADRN Cn1ncc2c1CN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)C[C@H]2COc1cccnc1 ZINC001164682255 719598609 /nfs/dbraw/zinc/59/86/09/719598609.db2.gz BGWSCHQTGNSLAR-NSHDSACASA-N 0 0 438.891 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COC(=O)c1cc(C(F)(F)N2CC[C@@H]3C[C@H](c4nc(C)no4)O[C@H]3C2)cnc1Cl ZINC001164647337 719298357 /nfs/dbraw/zinc/29/83/57/719298357.db2.gz DSOPPZJHXJOTBV-HONMWMINSA-N 0 0 428.823 3.114 20 0 IGADRN COC(=O)c1cc(C(F)(F)N2CC[C@@H]3C[C@H](c4nc(C)no4)O[C@@H]3C2)cnc1Cl ZINC001164647340 719298359 /nfs/dbraw/zinc/29/83/59/719298359.db2.gz DSOPPZJHXJOTBV-LERXQTSPSA-N 0 0 428.823 3.114 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2nc(Cl)c3ccccc3n2)C[C@H]2CCCO[C@H]21 ZINC001164656698 719302571 /nfs/dbraw/zinc/30/25/71/719302571.db2.gz YAVLLBCGIVFKEI-MZMPZRCHSA-N 0 0 436.890 3.434 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2nc3ccsc3c(Cl)n2)C[C@@H]2CCCO[C@@H]12 ZINC001164655713 719302685 /nfs/dbraw/zinc/30/26/85/719302685.db2.gz VDVKDEHDXFNJMA-NJZAAPMLSA-N 0 0 442.919 3.496 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2nc3ccccc3nc2Cl)C[C@@H]2CCCO[C@@H]12 ZINC001164653173 719304273 /nfs/dbraw/zinc/30/42/73/719304273.db2.gz OVNZNGRTLQLLAM-FDQGKXFDSA-N 0 0 436.890 3.434 20 0 IGADRN 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O=C1N(c2cncnc2)CC[C@@]12CCCN(C(F)(F)c1cnc(Cl)nc1Cl)C2 ZINC001165018081 721783084 /nfs/dbraw/zinc/78/30/84/721783084.db2.gz IGRINMNRTVKSAQ-MRXNPFEDSA-N 0 0 429.258 3.142 20 0 IGADRN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(F)(F)c1ccc(Cl)nc1Cl)C2 ZINC001165018563 721786444 /nfs/dbraw/zinc/78/64/44/721786444.db2.gz JGBCCAISXMSRTQ-KRWDZBQOSA-N 0 0 438.302 3.024 20 0 IGADRN COc1ccc2nc(C(F)(F)N3C[C@H]4CN(c5cccnc5)C(=O)[C@H]4C3)nc(Cl)c2c1 ZINC001165018341 721792346 /nfs/dbraw/zinc/79/23/46/721792346.db2.gz IAQIULJZAMFULJ-LRDDRELGSA-N 0 0 445.857 3.331 20 0 IGADRN COc1ccc(CN2C(=O)CO[C@H]3CN(C(F)(F)c4cc(C)nc(Cl)c4)C[C@@H]32)cc1 ZINC001165019905 721794231 /nfs/dbraw/zinc/79/42/31/721794231.db2.gz KSXNYLVPYFCQRJ-ROUUACIJSA-N 0 0 437.874 3.213 20 0 IGADRN COc1ccc(CN2C(=O)CO[C@H]3CN(C(F)(F)c4cc(Cl)ncc4F)C[C@@H]32)cc1 ZINC001165018890 721795823 /nfs/dbraw/zinc/79/58/23/721795823.db2.gz IMDINZIIOBIUDX-IRXDYDNUSA-N 0 0 441.837 3.044 20 0 IGADRN Cc1c(Cl)nc(C2CCC2)nc1N1CCO[C@@]2(C1)COCCN(Cc1cccnc1)C2 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CN(c1ncccn1)[C@H]1CO[C@]2(C1)CCCN(c1nc(Cl)ccc1CN1CCCC1)C2 ZINC001164925287 721836171 /nfs/dbraw/zinc/83/61/71/721836171.db2.gz ODZNCFRIFBIUAV-XXBNENTESA-N 0 0 442.995 3.385 20 0 IGADRN Cc1nc(C(F)(F)N2CCC[C@]3(C[C@@H](N(C)c4ncccn4)CO3)C2)nc(Cl)c1C ZINC001164927777 721836272 /nfs/dbraw/zinc/83/62/72/721836272.db2.gz VTUGDXGGCIIUAB-BEFAXECRSA-N 0 0 438.910 3.346 20 0 IGADRN CN(c1ncccn1)[C@@H]1CO[C@@]2(C1)CCCN(C(F)(F)COc1cccc(Cl)n1)C2 ZINC001164927869 721836416 /nfs/dbraw/zinc/83/64/16/721836416.db2.gz WDHDMPSJFKBQJD-HNAYVOBHSA-N 0 0 439.894 3.257 20 0 IGADRN FC(F)(COc1ccnc(Cl)c1)N1C[C@@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164926836 721838862 /nfs/dbraw/zinc/83/88/62/721838862.db2.gz SPQUQJGCCHKBPD-DNVCBOLYSA-N 0 0 425.863 3.267 20 0 IGADRN FC(F)(c1cc(Cl)nc(=S)[nH]1)N1C[C@H]2COC[C@@]2(COCc2ccccn2)C1 ZINC001164924543 721839550 /nfs/dbraw/zinc/83/95/50/721839550.db2.gz MZJTVDKBCPBSKK-YVEFUNNKSA-N 0 0 428.892 3.028 20 0 IGADRN COCCN1CCO[C@H]2CN(C(F)(F)c3ccc4c(ccnc4Cl)c3)CC[C@@H]2C1=O 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444.750 3.364 20 0 IGADRN O=C([C@@H]1C[C@@H]2[C@H](CCN2C(F)(F)c2ccc3ccnc(Cl)c3c2)O1)N1CCOCC1 ZINC001164797716 721595452 /nfs/dbraw/zinc/59/54/52/721595452.db2.gz HUFNYKGWFLTSTP-SQNIBIBYSA-N 0 0 437.874 3.028 20 0 IGADRN Cc1cccc(CN2CCO[C@@H]3CN(C(C)(C)c4ccnc(Cl)c4)CC[C@H]3C2=O)n1 ZINC001164798887 721603344 /nfs/dbraw/zinc/60/33/44/721603344.db2.gz JKRSLDXIIFLCKI-WOJBJXKFSA-N 0 0 428.964 3.423 20 0 IGADRN Cc1nc(N(C)C)nc2c1COC[C@@]21CCN(C(F)(F)c2cnc(Cl)nc2Cl)C1 ZINC001164801256 721605927 /nfs/dbraw/zinc/60/59/27/721605927.db2.gz PAZMSNMTAGKHCQ-KRWDZBQOSA-N 0 0 445.301 3.171 20 0 IGADRN Cc1nc(N(C)C)nc2c1COC[C@]21CCN(C(F)(F)Oc2cccc(Cl)n2)C1 ZINC001164798681 721606127 /nfs/dbraw/zinc/60/61/27/721606127.db2.gz HLBAIVBIBJSMSN-GOSISDBHSA-N 0 0 425.867 3.002 20 0 IGADRN C[C@@H]1CN(C(F)(F)c2nccnc2Cl)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007171 721691196 /nfs/dbraw/zinc/69/11/96/721691196.db2.gz BZSNEPNNNRNLAS-MUKKUYKPSA-N 0 0 437.878 3.473 20 0 IGADRN 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/nfs/dbraw/zinc/95/56/22/721955622.db2.gz MUZIYURKLHMEKR-QZTJIDSGSA-N 0 0 425.558 3.183 20 0 IGADRN O=C(Nc1nncs1)c1cnc(N2CCN(CCOc3ccccc3)CC2)c(Cl)c1 ZINC001165045571 721960229 /nfs/dbraw/zinc/96/02/29/721960229.db2.gz ZFUKXNJXSKPNBZ-UHFFFAOYSA-N 0 0 444.948 3.040 20 0 IGADRN Cc1noc(C)c1CN1CCO[C@H]2CN(c3ncc(C(=O)OC(C)(C)C)cc3Cl)C[C@H]21 ZINC001164944720 721961907 /nfs/dbraw/zinc/96/19/07/721961907.db2.gz JBVGSJLCAGYJLI-MOPGFXCFSA-N 0 0 448.951 3.385 20 0 IGADRN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)COc3ccc(Cl)nn3)C[C@@H]12 ZINC001164949783 721967266 /nfs/dbraw/zinc/96/72/66/721967266.db2.gz YKZWZXCBYSXWDH-XLIONFOSSA-N 0 0 436.890 3.366 20 0 IGADRN O=C([C@H]1COc2ccccc2O1)N1CCN(C(F)(F)c2cnc(Cl)c(Cl)c2)CC1 ZINC001165050517 721980189 /nfs/dbraw/zinc/98/01/89/721980189.db2.gz UJWZJNGQUGETSG-MRXNPFEDSA-N 0 0 444.265 3.422 20 0 IGADRN CS(=O)(=O)N1C[C@H]2CCCN(C(F)(F)c3cc(Cl)nc(-c4ccccc4)n3)[C@H]2C1 ZINC001164948885 721984278 /nfs/dbraw/zinc/98/42/78/721984278.db2.gz MWLFQKQAURLFTO-CABCVRRESA-N 0 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O=C(N[C@@H]1CN(C(F)(F)c2cnc(Cl)c(F)c2)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164951390 722000180 /nfs/dbraw/zinc/00/01/80/722000180.db2.gz MPKHIKOCHDJGDK-MRVWCRGKSA-N 0 0 432.855 3.042 20 0 IGADRN O=C(N[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)[C@@H]2CCCO[C@@H]12)c1cscn1 ZINC001164951429 722000249 /nfs/dbraw/zinc/00/02/49/722000249.db2.gz NJTZWXBDYCKKPZ-QKCSRTOESA-N 0 0 432.855 3.042 20 0 IGADRN O=C(N[C@@H]1CN(C(F)(F)c2nc(Cl)ccc2F)[C@@H]2CCCO[C@H]12)c1cscn1 ZINC001164951427 722000371 /nfs/dbraw/zinc/00/03/71/722000371.db2.gz NJTZWXBDYCKKPZ-MPKXVKKWSA-N 0 0 432.855 3.042 20 0 IGADRN O=C([O-])c1nnc(Cl)cc1C(F)(F)N1CCC2(CC[N@H+](Cc3cccnc3)C2)CC1 ZINC001164965087 722024994 /nfs/dbraw/zinc/02/49/94/722024994.db2.gz ZTNQRHMBPKUCEV-UHFFFAOYSA-N 0 0 437.878 3.261 20 0 IGADRN O=C(NCc1cccnc1)[C@H]1C[C@@]12CCN(C(F)(F)c1nc(Cl)ncc1Cl)C2 ZINC001164956405 722033058 /nfs/dbraw/zinc/03/30/58/722033058.db2.gz GDDQQQGWCWSCLS-SJKOYZFVSA-N 0 0 428.270 3.256 20 0 IGADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)c4ccc([Si](C)(C)C)c(Cl)n4)C[C@H]3O2)n1 ZINC001164960434 722041447 /nfs/dbraw/zinc/04/14/47/722041447.db2.gz KNLPGBBOWRMOAN-MELADBBJSA-N 0 0 442.970 3.353 20 0 IGADRN Cc1noc(C[C@@H]2C[C@H]3CN(C(F)(F)Oc4ccc5c(Cl)ncnc5c4)C[C@@H]3O2)n1 ZINC001164962857 722041763 /nfs/dbraw/zinc/04/17/63/722041763.db2.gz PSTMKJQMLHXSLF-RBOXIYTFSA-N 0 0 437.834 3.236 20 0 IGADRN Cc1noc(C[C@@H]2C[C@@H]3CN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C[C@@H]3O2)n1 ZINC001164961113 722042438 /nfs/dbraw/zinc/04/24/38/722042438.db2.gz LYHXMLMGCMQZLD-NHAHXKBOSA-N 0 0 445.882 3.452 20 0 IGADRN Cc1noc(C[C@@H]2C[C@@H]3CN(C(F)(F)c4cc(-c5ccco5)nnc4Cl)C[C@@H]3O2)n1 ZINC001164958450 722042475 /nfs/dbraw/zinc/04/24/75/722042475.db2.gz CUCSOZHEQXUUNM-WQGACYEGSA-N 0 0 437.834 3.463 20 0 IGADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2C[C@@H]3CCN(C(=O)c4ccco4)[C@@H]3C2)c1 ZINC001164957384 722047788 /nfs/dbraw/zinc/04/77/88/722047788.db2.gz JAKGKEGQCIFFEU-SMDDNHRTSA-N 0 0 425.819 3.010 20 0 IGADRN COC(=O)c1cc(C(F)(F)N2CC[C@H]3[C@H]2CCN3C(=O)c2cscn2)cnc1Cl ZINC001164966474 722064342 /nfs/dbraw/zinc/06/43/42/722064342.db2.gz UPPFLKXBBNXEHK-UONOGXRCSA-N 0 0 442.875 3.016 20 0 IGADRN O=C(c1cscn1)N1CC[C@H]2[C@H]1CCN2C(F)(F)Cc1nc(Cl)cc(Cl)n1 ZINC001164965714 722064912 /nfs/dbraw/zinc/06/49/12/722064912.db2.gz LOIJPEXMPANYOE-MNOVXSKESA-N 0 0 434.299 3.364 20 0 IGADRN COc1cc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)N3C(C)=O)C2)cc(Cl)n1 ZINC001164969592 722080026 /nfs/dbraw/zinc/08/00/26/722080026.db2.gz LJSGDZASFXQEFM-BHYGNILZSA-N 0 0 439.894 3.001 20 0 IGADRN COc1ccc(C(F)(F)N2CC[C@@H]3[C@@H](C[C@@H](Cn4cccn4)N3C(C)=O)C2)nc1Cl ZINC001164968614 722080675 /nfs/dbraw/zinc/08/06/75/722080675.db2.gz CPVWLNMAFCGZFQ-HRCADAONSA-N 0 0 439.894 3.001 20 0 IGADRN CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3nc(C)c(C)c(Cl)n3)CC[C@@H]21 ZINC001164971229 722080746 /nfs/dbraw/zinc/08/07/46/722080746.db2.gz ULTUTSIEVBRXIA-ULQDDVLXSA-N 0 0 438.910 3.004 20 0 IGADRN CC(=O)N1[C@@H]2CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164968474 722081437 /nfs/dbraw/zinc/08/14/37/722081437.db2.gz BMJVVRPXBNUUKL-TWOQFEAHSA-N 0 0 449.933 3.481 20 0 IGADRN O=C1[C@@H]2CCN(C(F)(F)c3cnc(Cl)cn3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164971658 722081663 /nfs/dbraw/zinc/08/16/63/722081663.db2.gz WYXNQTCJPSNIFL-CVEARBPZSA-N 0 0 440.853 3.068 20 0 IGADRN CC(C)C(=O)N1CCN(C(F)(F)c2cc(Cl)nc(Cl)c2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164978783 722087827 /nfs/dbraw/zinc/08/78/27/722087827.db2.gz ZSKDGNIOVKBXNG-GOSISDBHSA-N 0 0 449.329 3.277 20 0 IGADRN CC(C)C(=O)N1CCN(C(F)(F)c2cc(Cl)cnc2Cl)C[C@@]2(CCCC(=O)N2)C1 ZINC001164974828 722088059 /nfs/dbraw/zinc/08/80/59/722088059.db2.gz REJMEPSYTJFFHX-GOSISDBHSA-N 0 0 449.329 3.277 20 0 IGADRN CC(C)C(=O)N1CCN(C(F)(F)c2ccc(Cl)c(Cl)n2)C[C@]2(CCCC(=O)N2)C1 ZINC001164971522 722088135 /nfs/dbraw/zinc/08/81/35/722088135.db2.gz JFARMVVNQDUWIT-SFHVURJKSA-N 0 0 449.329 3.277 20 0 IGADRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@@H]2c2ccccc21 ZINC001164971759 722089650 /nfs/dbraw/zinc/08/96/50/722089650.db2.gz BVWOKILQLONALI-PWSUYJOCSA-N 0 0 449.310 3.328 20 0 IGADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3F)C[C@H]2c2ccccc21 ZINC001164973542 722090057 /nfs/dbraw/zinc/09/00/57/722090057.db2.gz KVYXLNRXQNGOFK-WCQYABFASA-N 0 0 431.867 3.419 20 0 IGADRN Cn1cc(N2C[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccncc5)c4)C[C@@H]3C2=O)cn1 ZINC001164979541 722095945 /nfs/dbraw/zinc/09/59/45/722095945.db2.gz LAVFUTUKIMBUHF-KDOFPFPSSA-N 0 0 444.873 3.175 20 0 IGADRN Cn1cc(N2C[C@H]3CN(C(F)(F)c4cc(Cl)nc5c4CCCCC5)C[C@@H]3C2=O)cn1 ZINC001164984955 722096678 /nfs/dbraw/zinc/09/66/78/722096678.db2.gz YFVKTCIAIGCBBW-CJNGLKHVSA-N 0 0 435.906 3.382 20 0 IGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@@H]21 ZINC001164986318 722097923 /nfs/dbraw/zinc/09/79/23/722097923.db2.gz YQOBGFJGWDBLGT-MELADBBJSA-N 0 0 447.877 3.049 20 0 IGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@@H]21 ZINC001164983459 722097974 /nfs/dbraw/zinc/09/79/74/722097974.db2.gz QFNRKAWNGGTUND-RLFYNMQTSA-N 0 0 437.878 3.143 20 0 IGADRN CCOC(=O)c1ccc(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)nc1C ZINC001164986707 722174354 /nfs/dbraw/zinc/17/43/54/722174354.db2.gz KZXDYTHVFALRTA-UXHICEINSA-N 0 0 430.574 3.201 20 0 IGADRN COC(=O)c1cc(Cl)nc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c1 ZINC001164986160 722175888 /nfs/dbraw/zinc/17/58/88/722175888.db2.gz JBWRHGMBZANFSM-IRXDYDNUSA-N 0 0 436.965 3.156 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cnc(Cl)cn4)CC[C@H]32)cs1 ZINC001164991624 722176184 /nfs/dbraw/zinc/17/61/84/722176184.db2.gz YTOPUGSQCHJAOK-HUUCEWRRSA-N 0 0 429.924 3.310 20 0 IGADRN COc1ccc2nc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)ncc2c1 ZINC001164987943 722182774 /nfs/dbraw/zinc/18/27/74/722182774.db2.gz JAYAVYIIPRXPLD-LEWJYISDSA-N 0 0 425.558 3.273 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncnc5cc(Cl)cnc54)CC[C@H]32)cs1 ZINC001164993591 722183707 /nfs/dbraw/zinc/18/37/07/722183707.db2.gz WTIDYATYSPLWOV-MSOLQXFVSA-N 0 0 430.965 3.313 20 0 IGADRN COc1cc2c(cc1F)ncnc2N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164993525 722184138 /nfs/dbraw/zinc/18/41/38/722184138.db2.gz VZZJDSOBLONKOV-VQTJNVASSA-N 0 0 443.548 3.412 20 0 IGADRN COc1cccc2ncnc(N3CC[C@H]4OCCN(Cc5csc(C)n5)[C@@H]4CC3)c21 ZINC001164987076 722185306 /nfs/dbraw/zinc/18/53/06/722185306.db2.gz JCBFLEFHDNTXTI-RTBURBONSA-N 0 0 425.558 3.273 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cc(N5CCC[C@H](C)C5)ncn4)CC[C@H]32)cs1 ZINC001164987358 722185891 /nfs/dbraw/zinc/18/58/91/722185891.db2.gz JXVTXELMANLOBS-IOMROCGXSA-N 0 0 442.633 3.348 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cncc(N5CCCCCC5)n4)CC[C@H]32)cs1 ZINC001164988622 722185913 /nfs/dbraw/zinc/18/59/13/722185913.db2.gz MYUWUXCURWHQFP-NHCUHLMSSA-N 0 0 442.633 3.492 20 0 IGADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164990643 722187473 /nfs/dbraw/zinc/18/74/73/722187473.db2.gz MIDDYCDNFWZZBJ-LBPRGKRZSA-N 0 0 437.318 3.430 20 0 IGADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)COc1ccnc(Cl)c1)CC2 ZINC001164991290 722187477 /nfs/dbraw/zinc/18/74/77/722187477.db2.gz OJOMDACUDZAWJB-MRXNPFEDSA-N 0 0 431.911 3.304 20 0 IGADRN CC(C)NC(=O)c1ccc2c(c1)C1(CCN(C(F)(F)c3cnc(Cl)nc3)CC1)C(=O)N2 ZINC001164992201 722187876 /nfs/dbraw/zinc/18/78/76/722187876.db2.gz XVURNNLZVZABKH-UHFFFAOYSA-N 0 0 449.889 3.303 20 0 IGADRN CC(C)C(=O)NCc1nnc2n1CCCN(C(F)(F)c1ccnc(Cl)c1Cl)C2 ZINC001164991097 722190070 /nfs/dbraw/zinc/19/00/70/722190070.db2.gz YQKRZGDZYLAJNO-UHFFFAOYSA-N 0 0 433.290 3.207 20 0 IGADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1nc(Cl)c2cccc(F)c2n1 ZINC001164998212 722214457 /nfs/dbraw/zinc/21/44/57/722214457.db2.gz VAWRJUSSQHPAEO-GLQYFDAESA-N 0 0 442.869 3.476 20 0 IGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3ccc([Si](C)(C)C)c(Cl)n3)[C@@H]2C1 ZINC001164997828 722215487 /nfs/dbraw/zinc/21/54/87/722215487.db2.gz SHXGVIFKJHTWBA-RRFJBIMHSA-N 0 0 446.014 3.334 20 0 IGADRN Nc1cc(Cl)ncc1C(F)(F)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001165000808 722220027 /nfs/dbraw/zinc/22/00/27/722220027.db2.gz ZGYDPWRTRMIWMG-IBGZPJMESA-N 0 0 436.846 3.224 20 0 IGADRN O=C1N(CC2CC2)[C@@H](c2ccccc2)C12CCN(c1ccc(CN3CCOCC3)cn1)CC2 ZINC001164999909 722221144 /nfs/dbraw/zinc/22/11/44/722221144.db2.gz TVNQLHCENIWDBH-VWLOTQADSA-N 0 0 446.595 3.494 20 0 IGADRN COCCO[C@@H]1CCN(C(F)(F)C2(c3ccnc(Cl)c3)CC2)[C@@H]1Cc1cnn(C)c1 ZINC001164998716 722225353 /nfs/dbraw/zinc/22/53/53/722225353.db2.gz DVJYEGYZKTXXLI-QZTJIDSGSA-N 0 0 440.922 3.442 20 0 IGADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)COc2ccnc(Cl)c2)n1 ZINC001164998963 722226540 /nfs/dbraw/zinc/22/65/40/722226540.db2.gz GLBLTEUXXPUOLS-HNNXBMFYSA-N 0 0 427.883 3.416 20 0 IGADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cc(Cl)nc(=S)[nH]2)n1 ZINC001164998931 722227153 /nfs/dbraw/zinc/22/71/53/722227153.db2.gz GFQYLSHJANANAB-NSHDSACASA-N 0 0 430.912 3.178 20 0 IGADRN CN1CCN(c2ncnc3c2CCN(c2nc(Cl)cc4cc(F)ccc42)CC3)CC1 ZINC001164998174 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CPVRXZWECNCWPQ-WCQYABFASA-N 0 0 425.819 3.010 20 0 IGADRN O=C(Nc1cccnc1Cl)OCC(F)(F)N1C[C@H]2[C@@H](CCN2C(=O)c2ccco2)C1 ZINC001164957437 722048694 /nfs/dbraw/zinc/04/86/94/722048694.db2.gz JOYIRVLGDBLFCM-JSGCOSHPSA-N 0 0 440.834 3.316 20 0 IGADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CC[C@H]2[C@@H]1CCN2C(=O)c1cscn1 ZINC001164963891 722064282 /nfs/dbraw/zinc/06/42/82/722064282.db2.gz DGAJHTRBUZHZMZ-KBPBESRZSA-N 0 0 442.875 3.016 20 0 IGADRN COC(=O)c1cnc(Cl)c(C(F)(F)N2CC[C@H]3[C@@H]2CCN3C(=O)c2cscn2)c1 ZINC001164965041 722065115 /nfs/dbraw/zinc/06/51/15/722065115.db2.gz IKDZVOHMNBKWIE-KBPBESRZSA-N 0 0 442.875 3.016 20 0 IGADRN O=C1[C@@H]2CCN([C@H](F)Oc3ccc(Cl)nc3)C[C@@H]2OCCN1Cc1cccc(F)c1 ZINC001164969395 722081898 /nfs/dbraw/zinc/08/18/98/722081898.db2.gz JPZDUDFHJVCVLT-LQWHRVPQSA-N 0 0 437.874 3.256 20 0 IGADRN CC(=O)N1CCC[C@]2(C1)CN(C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1)CCO2 ZINC001164968849 722083613 /nfs/dbraw/zinc/08/36/13/722083613.db2.gz HXYYAMJHINSCCV-SFHVURJKSA-N 0 0 431.987 3.043 20 0 IGADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(c3ncnc4c3CN(Cc3ccccc3)CC4)C[C@H]2C1 ZINC001164972627 722084548 /nfs/dbraw/zinc/08/45/48/722084548.db2.gz LZJIQBMTYQDYPI-WKCHPHFGSA-N 0 0 431.584 3.166 20 0 IGADRN O=C(NC1CCC1)C1C[C@@H]2CN([C@](F)(COc3cncc(Cl)n3)C(F)F)C[C@H]2C1 ZINC001164970871 722085744 /nfs/dbraw/zinc/08/57/44/722085744.db2.gz GQQRIBJNBAWIHP-VLXJIEOASA-N 0 0 432.874 3.066 20 0 IGADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)C[C@H]2C1 ZINC001164972683 722085923 /nfs/dbraw/zinc/08/59/23/722085923.db2.gz MJHAFVXLLORTLG-BTTYYORXSA-N 0 0 437.878 3.461 20 0 IGADRN CC(C)C(=O)N1CCN(C(F)(F)c2ccc(Cl)c(Cl)n2)C[C@@]2(CCCC(=O)N2)C1 ZINC001164971521 722088185 /nfs/dbraw/zinc/08/81/85/722088185.db2.gz JFARMVVNQDUWIT-GOSISDBHSA-N 0 0 449.329 3.277 20 0 IGADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3cnc(Cl)nc3Cl)C[C@H]2c2ccccc21 ZINC001164971808 722089259 /nfs/dbraw/zinc/08/92/59/722089259.db2.gz DIBNWNDIKCGUPU-CMPLNLGQSA-N 0 0 449.310 3.328 20 0 IGADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)c3nc(Cl)ncc3Cl)C[C@@H]2c2ccccc21 ZINC001164971758 722089614 /nfs/dbraw/zinc/08/96/14/722089614.db2.gz BVWOKILQLONALI-JQWIXIFHSA-N 0 0 449.310 3.328 20 0 IGADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)COc3ccnc(Cl)c3)C[C@@H]2c2ccccc21 ZINC001164971812 722089890 /nfs/dbraw/zinc/08/98/90/722089890.db2.gz DIEHWRHKABPBQU-BBRMVZONSA-N 0 0 443.903 3.202 20 0 IGADRN COc1ccc(C(F)(F)N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@@H]3C2)c(Cl)n1 ZINC001164978651 722090014 /nfs/dbraw/zinc/09/00/14/722090014.db2.gz XFYOCMKPLKBNSW-TZMCWYRMSA-N 0 0 443.903 3.288 20 0 IGADRN COc1ccc(C(F)(F)N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc1Cl ZINC001164978532 722090296 /nfs/dbraw/zinc/09/02/96/722090296.db2.gz XAQYTIIZWODOTK-OCCSQVGLSA-N 0 0 443.903 3.288 20 0 IGADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)Oc3ccnc(Cl)c3)C[C@H]2c2ccccc21 ZINC001164971266 722090900 /nfs/dbraw/zinc/09/09/00/722090900.db2.gz AZIINHUJBXKKCJ-SWLSCSKDSA-N 0 0 429.876 3.159 20 0 IGADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC[C@H](C(=O)NCC3CC3)C2)CC1 ZINC001164973519 722091694 /nfs/dbraw/zinc/09/16/94/722091694.db2.gz KRVFYCNJLOFLTQ-AWEZNQCLSA-N 0 0 440.922 3.292 20 0 IGADRN Cn1cc(N2C[C@@H]3CN(C(F)(F)c4cc(Cl)c(Cl)nc4Cl)C[C@H]3C2=O)cn1 ZINC001164973693 722095632 /nfs/dbraw/zinc/09/56/32/722095632.db2.gz CEPNIUOPLBOADX-WCBMZHEXSA-N 0 0 436.677 3.419 20 0 IGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)COc3cncc(Cl)n3)C[C@H]21 ZINC001164979280 722097944 /nfs/dbraw/zinc/09/79/44/722097944.db2.gz HTTBAIIJUKSRPD-IIDMSEBBSA-N 0 0 437.878 3.143 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4ccnc(Cl)n4)CC[C@H]32)cs1 ZINC001164984866 722173536 /nfs/dbraw/zinc/17/35/36/722173536.db2.gz GOSPRHPDNCPZCT-CABCVRRESA-N 0 0 429.924 3.310 20 0 IGADRN CCOC(=O)/C=C/c1cccnc1N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164990340 722175433 /nfs/dbraw/zinc/17/54/33/722175433.db2.gz VQBSFCANMWTGJZ-IRXJPXPOSA-N 0 0 442.585 3.293 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nccc(Cl)n4)CC[C@@H]32)cs1 ZINC001164984832 722176505 /nfs/dbraw/zinc/17/65/05/722176505.db2.gz GDMCCPNCCCMAEA-LSDHHAIUSA-N 0 0 429.924 3.310 20 0 IGADRN COc1ccc2cnc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)nc2c1 ZINC001164991568 722179335 /nfs/dbraw/zinc/17/93/35/722179335.db2.gz XTHJEMHKTSACFT-RTWAWAEBSA-N 0 0 425.558 3.273 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN([C@H](F)Oc4cccc(Cl)n4)CC[C@@H]32)cs1 ZINC001164991770 722181797 /nfs/dbraw/zinc/18/17/97/722181797.db2.gz RHRHDKWSUHTBHB-FCEWJHQRSA-N 0 0 426.945 3.497 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(C(=O)NC(C)(C)C)cn4)CC[C@@H]32)cs1 ZINC001164989840 722182050 /nfs/dbraw/zinc/18/20/50/722182050.db2.gz MKTHGZUWGGGLRG-PMACEKPBSA-N 0 0 443.617 3.245 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5ncsc54)CC[C@@H]32)cs1 ZINC001164991725 722182112 /nfs/dbraw/zinc/18/21/12/722182112.db2.gz QUPWTTMWPCLXMR-KBPBESRZSA-N 0 0 436.994 3.374 20 0 IGADRN COC(=O)c1ccc(Cl)c(N2CC[C@@H]3[C@H](CC2)OCCN3Cc2csc(C)n2)n1 ZINC001164992126 722183104 /nfs/dbraw/zinc/18/31/04/722183104.db2.gz RKNPLLVHIZTVMK-MSOLQXFVSA-N 0 0 436.965 3.156 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cc(N)cc(Cl)n4)CC[C@@H]32)cs1 ZINC001164993799 722183507 /nfs/dbraw/zinc/18/35/07/722183507.db2.gz WZHSCVPINUTABG-HOTGVXAUSA-N 0 0 443.951 3.497 20 0 IGADRN COc1cc2c(cc1F)ncnc2N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164993523 722184091 /nfs/dbraw/zinc/18/40/91/722184091.db2.gz VZZJDSOBLONKOV-PMACEKPBSA-N 0 0 443.548 3.412 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nccc(-c5cccnc5F)n4)CC[C@@H]32)cs1 ZINC001164992816 722184161 /nfs/dbraw/zinc/18/41/61/722184161.db2.gz UOQJUCFRPRIODB-VQTJNVASSA-N 0 0 440.548 3.312 20 0 IGADRN CCOC(=O)c1c(C)ccnc1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164993812 722184382 /nfs/dbraw/zinc/18/43/82/722184382.db2.gz XDRCXWCDBYBMSU-OALUTQOASA-N 0 0 430.574 3.201 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncnc(-c5cccc(F)c5)n4)CC[C@H]32)cs1 ZINC001164991855 722185582 /nfs/dbraw/zinc/18/55/82/722185582.db2.gz VBPKQGGQDJRZFM-UXHICEINSA-N 0 0 440.548 3.312 20 0 IGADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)nc(SC)n1)CC2 ZINC001164989779 722187444 /nfs/dbraw/zinc/18/74/44/722187444.db2.gz JXTLXQZQUBVOFZ-ZDUSSCGKSA-N 0 0 448.967 3.498 20 0 IGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)c3ccc([Si](C)(C)C)c(Cl)n3)[C@H]2C1 ZINC001164997829 722215298 /nfs/dbraw/zinc/21/52/98/722215298.db2.gz SHXGVIFKJHTWBA-SOUVJXGZSA-N 0 0 446.014 3.334 20 0 IGADRN COCCO[C@H]1CCN(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)[C@@H]1Cc1cnn(C)c1 ZINC001164999332 722224480 /nfs/dbraw/zinc/22/44/80/722224480.db2.gz LBODVVSYNALSHK-CVEARBPZSA-N 0 0 439.894 3.348 20 0 IGADRN CN1CCN(c2ncnc3c2CCN(c2cc(Cl)nc4ccc(F)cc42)CC3)CC1 ZINC001164998061 722231299 /nfs/dbraw/zinc/23/12/99/722231299.db2.gz VVIBNZUXVBNNCE-UHFFFAOYSA-N 0 0 426.927 3.174 20 0 IGADRN Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@@H]2C1 ZINC001165005122 722242370 /nfs/dbraw/zinc/24/23/70/722242370.db2.gz RUGJVEDLLMGGTJ-LRDDRELGSA-N 0 0 445.297 3.249 20 0 IGADRN Cn1cccc1C(=O)N1CCO[C@@H]2CN(C(F)(F)c3cnc(Cl)cc3Cl)C[C@H]2C1 ZINC001165003330 722242449 /nfs/dbraw/zinc/24/24/49/722242449.db2.gz JYBUYEXQZPUGQV-MLGOLLRUSA-N 0 0 445.297 3.249 20 0 IGADRN COc1ccc(C(F)(F)N2CCc3onc(C(=O)Nc4cccnc4)c3C2)nc1Cl ZINC001164999733 722247756 /nfs/dbraw/zinc/24/77/56/722247756.db2.gz BCJOLKXXTXAZHR-UHFFFAOYSA-N 0 0 435.818 3.487 20 0 IGADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1cc(Cl)nc(Cl)n1)CCO2 ZINC001165001397 722248575 /nfs/dbraw/zinc/24/85/75/722248575.db2.gz PTAWACFPBFCSIG-QGZVFWFLSA-N 0 0 447.269 3.433 20 0 IGADRN Cc1cc(Cl)nc(C(F)(F)N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)n1 ZINC001165001166 722248614 /nfs/dbraw/zinc/24/86/14/722248614.db2.gz NDTZJALBCMVJPJ-GOSISDBHSA-N 0 0 426.851 3.088 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(F)(F)c1ccnc(Cl)c1F)C2 ZINC001165004576 722260524 /nfs/dbraw/zinc/26/05/24/722260524.db2.gz QKQDVDARMKNKJH-IBGZPJMESA-N 0 0 442.844 3.486 20 0 IGADRN COC(=O)c1ccc2ccnc(N3CC[C@@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c2c1 ZINC001165005843 722263671 /nfs/dbraw/zinc/26/36/71/722263671.db2.gz DSDAXENQQWEUFX-RUZDIDTESA-N 0 0 448.498 3.088 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc3c(Cl)ccnc3cn1)C2 ZINC001165006929 722265921 /nfs/dbraw/zinc/26/59/21/722265921.db2.gz OOSXBMNYRMCBOP-JOCHJYFZSA-N 0 0 425.895 3.350 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc3nc(Cl)cnc3cc1F)C2 ZINC001165007808 722268986 /nfs/dbraw/zinc/26/89/86/722268986.db2.gz XXNJAMSFOQLPHT-QFIPXVFZSA-N 0 0 443.885 3.489 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nccnc1Oc1ccccc1)C2 ZINC001165004281 722269814 /nfs/dbraw/zinc/26/98/14/722269814.db2.gz ADVNXRWJQUPEQL-DEOSSOPVSA-N 0 0 433.487 3.336 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nc3c(nc1Cl)CCCC3)C2 ZINC001165004903 722270702 /nfs/dbraw/zinc/27/07/02/722270702.db2.gz DTJZDGRNVTURTG-QFIPXVFZSA-N 0 0 429.927 3.075 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1nc(C3CCC3)nc3[nH]ccc31)C2 ZINC001165005239 722270929 /nfs/dbraw/zinc/27/09/29/722270929.db2.gz GQWIFYFATDIWTE-DEOSSOPVSA-N 0 0 434.519 3.292 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncnc3[nH]c4cc(F)ccc4c31)C2 ZINC001165004277 722271052 /nfs/dbraw/zinc/27/10/52/722271052.db2.gz AAOYWDVXJUIIGU-XMMPIXPASA-N 0 0 448.477 3.317 20 0 IGADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)ncn2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165011216 722273198 /nfs/dbraw/zinc/27/31/98/722273198.db2.gz ZFXFFYSWZRZKHE-FRIZHTMISA-N 0 0 437.878 3.473 20 0 IGADRN C[C@@H]1CN(C(F)(F)c2nccc(Cl)n2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165010842 722273626 /nfs/dbraw/zinc/27/36/26/722273626.db2.gz XNJCROWWEZYSBQ-ZXYWRSMDSA-N 0 0 437.878 3.473 20 0 IGADRN CCn1c(Cc2ccccc2)nnc1SCc1nnc2n1c1ccccc1c(=O)n2C ZINC000022090948 523202218 /nfs/dbraw/zinc/20/22/18/523202218.db2.gz OBCQZQDTQUNIDK-UHFFFAOYSA-N 0 0 431.525 3.076 20 0 IGADRN C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)Nc3ccccc3N3CCCC3)c2)C[C@H](C)O1 ZINC000012521994 562982681 /nfs/dbraw/zinc/98/26/81/562982681.db2.gz QKXWGUZAOMFGLK-ROUUACIJSA-N 0 0 443.569 3.337 20 0 IGADRN COC(=O)[C@H](CC(C)C)NS(=O)(=O)c1cc(Br)ccc1Br ZINC000013830049 563011036 /nfs/dbraw/zinc/01/10/36/563011036.db2.gz OMHFXPLTUPGVFE-NSHDSACASA-N 0 0 443.157 3.078 20 0 IGADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2c3ccccc3NC(=O)[C@@H]2C1 ZINC001164404525 718856617 /nfs/dbraw/zinc/85/66/17/718856617.db2.gz JOKYALKMLYEURK-LSDHHAIUSA-N 0 0 448.857 3.414 20 0 IGADRN CCOC(=O)c1cc2n(n1)CCCN(C(F)(F)COC(=O)Nc1cccnc1Cl)C2 ZINC001164407021 718866963 /nfs/dbraw/zinc/86/69/63/718866963.db2.gz IJQRODIOPSXJQZ-UHFFFAOYSA-N 0 0 443.838 3.155 20 0 IGADRN C[C@H]1CCc2c(sc3nc(CN4CCCCC4)nc(N4CCS(=O)(=O)CC4)c23)C1 ZINC001164427159 718957951 /nfs/dbraw/zinc/95/79/51/718957951.db2.gz BRSWMDRAAFNQFQ-HNNXBMFYSA-N 0 0 434.631 3.037 20 0 IGADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(c1nc(CN3CCCC3)nc3sc(C)c(C)c31)C2 ZINC001164434702 718978791 /nfs/dbraw/zinc/97/87/91/718978791.db2.gz VEDUAHXUIGKJFI-GAJHUEQPSA-N 0 0 444.601 3.452 20 0 IGADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1cc(Cl)nc(-c3cccnc3)n1)C2 ZINC001164435023 718978996 /nfs/dbraw/zinc/97/89/96/718978996.db2.gz 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ZINC001164663792 719357237 /nfs/dbraw/zinc/35/72/37/719357237.db2.gz HEKCVYBWNUSZCF-PZJWPPBQSA-N 0 0 434.947 3.178 20 0 IGADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)C2 ZINC001164662721 719361010 /nfs/dbraw/zinc/36/10/10/719361010.db2.gz FMISXSDNAMAKIL-SNVBAGLBSA-N 0 0 426.830 3.329 20 0 IGADRN CCOC[C@@H]1CN(C(F)(F)c2nc(Cl)cc(N(C)C)n2)Cc2nn(CC3CC3)cc21 ZINC001164663704 719363176 /nfs/dbraw/zinc/36/31/76/719363176.db2.gz LGGJUAIABIZCJW-AWEZNQCLSA-N 0 0 440.926 3.488 20 0 IGADRN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2C[C@@H]3OCCN(C)[C@H]3C2)cc1 ZINC001164666070 719422951 /nfs/dbraw/zinc/42/29/51/719422951.db2.gz AVNMDPOQZJQERK-IRXDYDNUSA-N 0 0 437.874 3.253 20 0 IGADRN COC(=O)CSc1cccc(N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)n1 ZINC001164672686 719520415 /nfs/dbraw/zinc/52/04/15/719520415.db2.gz MSKIQJMOFFTZRX-UHFFFAOYSA-N 0 0 445.560 3.357 20 0 IGADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2ccc3ncnc(Cl)c3c2)C1)N1CCCC1 ZINC001164678956 719537793 /nfs/dbraw/zinc/53/77/93/719537793.db2.gz 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FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001164687287 719685826 /nfs/dbraw/zinc/68/58/26/719685826.db2.gz RTQVRFSUTHDSBR-UHFFFAOYSA-N 0 0 445.861 3.389 20 0 IGADRN O=C1C[C@@H]2[C@H](CCN2C(F)(F)Oc2ccc3c(Cl)ncnc3c2)N1Cc1cccnc1 ZINC001164693028 719770035 /nfs/dbraw/zinc/77/00/35/719770035.db2.gz XCDQRFZRKVZCGF-ZWKOTPCHSA-N 0 0 445.857 3.483 20 0 IGADRN COC(=O)c1ccc(C(F)(F)N2CCc3ncnc(OC(C)C)c3CC2)nc1Cl ZINC001164693599 719790357 /nfs/dbraw/zinc/79/03/57/719790357.db2.gz BEZDETOURNSMGX-UHFFFAOYSA-N 0 0 426.851 3.249 20 0 IGADRN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(C[C@@H](c3cnn(C)c3)CO2)CC1 ZINC001164696867 719826180 /nfs/dbraw/zinc/82/61/80/719826180.db2.gz LIXVDMZNNUFOFY-CYBMUJFWSA-N 0 0 440.878 3.343 20 0 IGADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1c1nc2ccc(Cl)cc2nc1Cl ZINC001164701521 719849273 /nfs/dbraw/zinc/84/92/73/719849273.db2.gz MIXVMUWRGNSHNU-JLTOFOAXSA-N 0 0 439.343 3.169 20 0 IGADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1c1nc2ccc(Cl)cc2nc1Cl ZINC001164701530 719849620 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ZINC001164790450 721408063 /nfs/dbraw/zinc/40/80/63/721408063.db2.gz XTIJDKRHGYGCMZ-RYUDHWBXSA-N 0 0 428.892 3.091 20 0 IGADRN Clc1nc2c(ncn2[C@H]2CCCCO2)c(N2C[C@H]3CN(Cc4nccs4)C[C@H]3C2)n1 ZINC001164786256 721409332 /nfs/dbraw/zinc/40/93/32/721409332.db2.gz OQHBSMJIVNGSIF-IJEWVQPXSA-N 0 0 445.980 3.204 20 0 IGADRN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1C[C@@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164781824 721411505 /nfs/dbraw/zinc/41/15/05/721411505.db2.gz FIXDTGBRPHKEIT-KBPBESRZSA-N 0 0 429.933 3.095 20 0 IGADRN COc1cc2nc(Cl)c(N3C[C@@H]4CN(Cc5nccs5)C[C@H]4C3)nc2cc1OC ZINC001164781207 721411852 /nfs/dbraw/zinc/41/18/52/721411852.db2.gz CYXFVUSBSVWVIS-STQMWFEESA-N 0 0 431.949 3.325 20 0 IGADRN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]2CN(Cc3nccs3)C[C@H]2C1 ZINC001164786350 721420387 /nfs/dbraw/zinc/42/03/87/721420387.db2.gz OVKOFKMSLLCOJY-HDICACEKSA-N 0 0 436.585 3.040 20 0 IGADRN CCOC(=O)c1ccc2nc(Cl)nc(N3C[C@H]4CN(Cc5nccs5)C[C@H]4C3)c2c1 ZINC001164783534 721423679 /nfs/dbraw/zinc/42/36/79/721423679.db2.gz 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Cc1cc(C(F)(F)N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)c(Cl)nn1 ZINC001164897046 721478608 /nfs/dbraw/zinc/47/86/08/721478608.db2.gz ZXCXYFHRKVNARN-FMKPAKJESA-N 0 0 446.901 3.033 20 0 IGADRN O=C(C[C@@H]1COC[C@H]2CN(C(F)(F)Oc3ccnc(Cl)c3)C[C@@H]21)N1CCC(F)CC1 ZINC001164893336 721479745 /nfs/dbraw/zinc/47/97/45/721479745.db2.gz CKMMANXUOMUOEL-CKEIUWERSA-N 0 0 447.885 3.209 20 0 IGADRN O=C([C@@H]1CCO[C@H]2CCN(C(F)(F)c3ccc(Cl)c(Cl)n3)C[C@H]12)N1CCCO1 ZINC001164790901 721480533 /nfs/dbraw/zinc/48/05/33/721480533.db2.gz HKDQKMLQPHKELE-BZPMIXESSA-N 0 0 436.286 3.329 20 0 IGADRN CSc1ccc(C(F)(F)N2CC[C@@H]3OCC[C@H](C(=O)N4CCCO4)[C@H]3C2)nc1Cl ZINC001164790801 721481190 /nfs/dbraw/zinc/48/11/90/721481190.db2.gz GDOMWBWHSVLLKN-MJBXVCDLSA-N 0 0 447.935 3.397 20 0 IGADRN O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)C3(c4ccnc(Cl)c4)CC3)C[C@@H]21)N1CCCO1 ZINC001164792382 721483633 /nfs/dbraw/zinc/48/36/33/721483633.db2.gz MYSBGBFHCOFGOU-BRWVUGGUSA-N 0 0 441.906 3.250 20 0 IGADRN O=C([C@@H]1CCO[C@@H]2CCN(C(F)(F)c3cc(Cl)nc4c3CCC4)C[C@H]21)N1CCCO1 ZINC001164790487 721483941 /nfs/dbraw/zinc/48/39/41/721483941.db2.gz DWYWAHRSYZDHHZ-QIIPPGSGSA-N 0 0 441.906 3.164 20 0 IGADRN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(F)(F)c1nc(Cl)ncc1Cl)CC2 ZINC001164892572 721489185 /nfs/dbraw/zinc/48/91/85/721489185.db2.gz AKGCWWZYPSPAIV-LLVKDONJSA-N 0 0 435.302 3.373 20 0 IGADRN CNC(=O)N[C@H]1CC2(CCN(c3ccc(CN4CCOCC4)cn3)CC2)c2ccc(C)cc21 ZINC001164896389 721491768 /nfs/dbraw/zinc/49/17/68/721491768.db2.gz AVXQACHKSLVRNT-QHCPKHFHSA-N 0 0 449.599 3.134 20 0 IGADRN CCOC(=O)c1nc2ccccc2c(N2C[C@H](N(C)Cc3cccnc3)[C@@H]3OCCC[C@@H]32)n1 ZINC001164811178 721531596 /nfs/dbraw/zinc/53/15/96/721531596.db2.gz ZFOIWVLOUPMTAQ-FDFHNCONSA-N 0 0 447.539 3.070 20 0 IGADRN CCOC(=O)c1ccc2ncnc(N3C[C@H](N(C)Cc4cccnc4)[C@@H]4OCCC[C@H]43)c2c1 ZINC001164805721 721554807 /nfs/dbraw/zinc/55/48/07/721554807.db2.gz OOYYFZHMUJZOEX-XPWALMASSA-N 0 0 447.539 3.070 20 0 IGADRN 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ZINC001164801257 721606014 /nfs/dbraw/zinc/60/60/14/721606014.db2.gz PAZMSNMTAGKHCQ-QGZVFWFLSA-N 0 0 445.301 3.171 20 0 IGADRN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CCOC[C@]2(CC[C@@H](Cn3cccn3)O2)C1 ZINC001164801937 721607611 /nfs/dbraw/zinc/60/76/11/721607611.db2.gz HOHRBYMWTOBVEJ-LIRRHRJNSA-N 0 0 437.878 3.412 20 0 IGADRN C[C@@H]1CN([C@H](F)Oc2ccc(Cl)nn2)CC[C@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165007565 721692314 /nfs/dbraw/zinc/69/23/14/721692314.db2.gz FXRAKYRPRQBYJP-NIJZUDBWSA-N 0 0 435.887 3.055 20 0 IGADRN C[C@@H]1CN([C@H](F)Oc2ccc(Cl)nn2)CC[C@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165007567 721692527 /nfs/dbraw/zinc/69/25/27/721692527.db2.gz FXRAKYRPRQBYJP-NNSOFZPJSA-N 0 0 435.887 3.055 20 0 IGADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC[C@@H]3CN(C(=O)c4ccco4)C[C@@H]32)c1 ZINC001165015291 721770810 /nfs/dbraw/zinc/77/08/10/721770810.db2.gz KALKGKIDOPWDSL-OCCSQVGLSA-N 0 0 439.846 3.401 20 0 IGADRN O=C([C@H]1C[C@]2(CO1)CCCN(C(F)(F)Sc1ccc(Cl)nc1)C2)N1CCOCC1 ZINC001165015884 721778339 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ZINC001164965787 722066476 /nfs/dbraw/zinc/06/64/76/722066476.db2.gz NAVUAMLOQOODMC-UHFFFAOYSA-N 0 0 429.924 3.431 20 0 IGADRN CC(=O)N1CC(=O)NC[C@]12CCN(C(F)(F)c1ccc3nc(Cl)cc(Cl)c3c1)C2 ZINC001164972005 722078958 /nfs/dbraw/zinc/07/89/58/722078958.db2.gz XQWWAHJDIIGIRN-SFHVURJKSA-N 0 0 443.281 3.014 20 0 IGADRN O=C1[C@H]2CCN(C(F)(F)c3ccnc(Cl)n3)C[C@H]2OCCN1Cc1cccc(F)c1 ZINC001164971685 722081460 /nfs/dbraw/zinc/08/14/60/722081460.db2.gz XALSXFNJDVAIGA-JKSUJKDBSA-N 0 0 440.853 3.068 20 0 IGADRN CC(=O)N1[C@H](Cn2cccn2)C[C@H]2CN(C(F)(F)c3cc(Cl)nc4c3CCC4)CC[C@@H]21 ZINC001164968471 722081537 /nfs/dbraw/zinc/08/15/37/722081537.db2.gz BMJVVRPXBNUUKL-FTRWYGJKSA-N 0 0 449.933 3.481 20 0 IGADRN COc1ccc2nc(C(F)(F)N3CCO[C@]4(CCCN(C(C)=O)C4)C3)nc(Cl)c2c1 ZINC001164968864 722084018 /nfs/dbraw/zinc/08/40/18/722084018.db2.gz IKOWUTXUNSIDRB-IBGZPJMESA-N 0 0 440.878 3.054 20 0 IGADRN CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cc(Cl)ncc3F)C[C@@H]2c2ccccc21 ZINC001164973554 722090043 /nfs/dbraw/zinc/09/00/43/722090043.db2.gz KVYXLNRXQNGOFK-YPMHNXCESA-N 0 0 431.867 3.419 20 0 IGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@@H]21 ZINC001164974683 722097970 /nfs/dbraw/zinc/09/79/70/722097970.db2.gz BJJQLPJVQLNOMW-HZSPNIEDSA-N 0 0 447.877 3.049 20 0 IGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)C[C@H]21 ZINC001164974681 722097980 /nfs/dbraw/zinc/09/79/80/722097980.db2.gz BJJQLPJVQLNOMW-BFHYXJOUSA-N 0 0 447.877 3.049 20 0 IGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@@H]21 ZINC001164983461 722097982 /nfs/dbraw/zinc/09/79/82/722097982.db2.gz QFNRKAWNGGTUND-RVKKMQEKSA-N 0 0 437.878 3.143 20 0 IGADRN CN1c2ccccc2[C@]2(CCN([C@@](F)(COc3cncc(Cl)n3)C(F)F)C2)C1=O ZINC001164979399 722162851 /nfs/dbraw/zinc/16/28/51/722162851.db2.gz KLPGEWUAOHCOGN-MOPGFXCFSA-N 0 0 426.826 3.060 20 0 IGADRN COC(=O)c1cnc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c(Cl)c1 ZINC001164988909 722174083 /nfs/dbraw/zinc/17/40/83/722174083.db2.gz RYXCPBSICORWCJ-ROUUACIJSA-N 0 0 436.965 3.156 20 0 IGADRN COC(=O)c1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)c(Cl)c1 ZINC001164988910 722174094 /nfs/dbraw/zinc/17/40/94/722174094.db2.gz RYXCPBSICORWCJ-ZWKOTPCHSA-N 0 0 436.965 3.156 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nnc(Cl)c5ccncc54)CC[C@H]32)cs1 ZINC001164983532 722176795 /nfs/dbraw/zinc/17/67/95/722176795.db2.gz BFRSNSDVDITJEH-MSOLQXFVSA-N 0 0 430.965 3.313 20 0 IGADRN CCOC(=O)c1cnc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)c(C)c1 ZINC001164991867 722178924 /nfs/dbraw/zinc/17/89/24/722178924.db2.gz YVCMNALRWKPQSL-WOJBJXKFSA-N 0 0 430.574 3.201 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4nc(Cl)nc5c4ccn5C)CC[C@H]32)cs1 ZINC001164991583 722179633 /nfs/dbraw/zinc/17/96/33/722179633.db2.gz YEAJRQFNZIHHIO-IAGOWNOFSA-N 0 0 432.981 3.256 20 0 IGADRN CSc1nc(Cl)ncc1N1CC[C@H]2OCCN(Cc3csc(C)n3)[C@@H]2CC1 ZINC001164987954 722181645 /nfs/dbraw/zinc/18/16/45/722181645.db2.gz JBVKGGVEYLPVDO-GDBMZVCRSA-N 0 0 426.011 3.487 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nccc(N5CCCCC5)n4)CC[C@H]32)cs1 ZINC001164987157 722184033 /nfs/dbraw/zinc/18/40/33/722184033.db2.gz GWLHHMBEZOUECV-UXHICEINSA-N 0 0 428.606 3.102 20 0 IGADRN COc1cc2c(cc1F)ncnc2N1CC[C@@H]2[C@H](CC1)OCCN2Cc1csc(C)n1 ZINC001164993524 722184089 /nfs/dbraw/zinc/18/40/89/722184089.db2.gz VZZJDSOBLONKOV-UXHICEINSA-N 0 0 443.548 3.412 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4cncc(N5CCCCC5)n4)CC[C@H]32)cs1 ZINC001164987145 722184309 /nfs/dbraw/zinc/18/43/09/722184309.db2.gz GUKHJLUNWDHRAN-WOJBJXKFSA-N 0 0 428.606 3.102 20 0 IGADRN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(F)(F)COc1cccc(Cl)n1)CC2 ZINC001164992453 722187565 /nfs/dbraw/zinc/18/75/65/722187565.db2.gz STGGKNIFWSZXPS-HNNXBMFYSA-N 0 0 431.911 3.304 20 0 IGADRN CC(C)C(=O)NCc1nnc2n1CCCN(C(F)(F)c1ccc3cnc(Cl)nc3c1)C2 ZINC001164990918 722190174 /nfs/dbraw/zinc/19/01/74/722190174.db2.gz XCPSNDHDTXBJIR-UHFFFAOYSA-N 0 0 449.893 3.102 20 0 IGADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)n1 ZINC001164998601 722219226 /nfs/dbraw/zinc/21/92/26/722219226.db2.gz KFQNPPYOOUWXPZ-LJQANCHMSA-N 0 0 436.846 3.345 20 0 IGADRN COCCO[C@H]1CCN(C(Cl)(Cl)Oc2ccc(Cl)nc2)[C@@H]1Cc1cnn(C)c1 ZINC001165000965 722225367 /nfs/dbraw/zinc/22/53/67/722225367.db2.gz WUIAOZFQYIEXES-CVEARBPZSA-N 0 0 449.766 3.285 20 0 IGADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2c3c(nnc2Cl)CCC3)n1 ZINC001164998391 722227303 /nfs/dbraw/zinc/22/73/03/722227303.db2.gz BGZIMGNCMIJOCE-OAHLLOKOSA-N 0 0 438.910 3.378 20 0 IGADRN CC(=O)NCc1ncn2c1CN(C(F)(F)c1nc(Cl)c3cc(F)ccc3n1)CCC2 ZINC001164999653 722228121 /nfs/dbraw/zinc/22/81/21/722228121.db2.gz NWQHURUOZRIWBJ-UHFFFAOYSA-N 0 0 438.841 3.210 20 0 IGADRN COc1cnc(N2CCc3ncnc(N4CCN(C)CC4)c3CC2)c2cc(Cl)ccc12 ZINC001164996724 722233658 /nfs/dbraw/zinc/23/36/58/722233658.db2.gz IKUWBUAXPSBIAN-UHFFFAOYSA-N 0 0 438.963 3.044 20 0 IGADRN CN1CCN(c2ncnc3c2CCN(c2c(Cl)ccc4c(Cl)ncnc42)CC3)CC1 ZINC001165006358 722240175 /nfs/dbraw/zinc/24/01/75/722240175.db2.gz YGEKQIRLSIKHTF-UHFFFAOYSA-N 0 0 444.370 3.084 20 0 IGADRN Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)c3ccnc(Cl)c3Cl)C[C@@H]2C1 ZINC001165003626 722242437 /nfs/dbraw/zinc/24/24/37/722242437.db2.gz LDHGQULBBFUJSD-WFASDCNBSA-N 0 0 445.297 3.249 20 0 IGADRN Cn1cccc1C(=O)N1CCO[C@@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@H]2C1 ZINC001165005123 722242470 /nfs/dbraw/zinc/24/24/70/722242470.db2.gz RUGJVEDLLMGGTJ-MLGOLLRUSA-N 0 0 445.297 3.249 20 0 IGADRN Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc43)C[C@H]2C1 ZINC001165004135 722243415 /nfs/dbraw/zinc/24/34/15/722243415.db2.gz NOMWUZWQOGCZNX-DYVFJYSZSA-N 0 0 449.889 3.077 20 0 IGADRN COc1cc(C(F)(F)N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)cc(Cl)n1 ZINC001165001451 722249033 /nfs/dbraw/zinc/24/90/33/722249033.db2.gz REBMKDIJKOOGAX-LJQANCHMSA-N 0 0 441.862 3.393 20 0 IGADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(c1nc(Cl)ccc1CN1CCCC1)CCO2 ZINC001165000187 722249267 /nfs/dbraw/zinc/24/92/67/722249267.db2.gz FONUXAISGQRUJM-QHCPKHFHSA-N 0 0 444.963 3.435 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1ncnc3c(Cl)cccc31)C2 ZINC001165005027 722261844 /nfs/dbraw/zinc/26/18/44/722261844.db2.gz TUELJQRISOAZNK-JOCHJYFZSA-N 0 0 425.895 3.350 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncnc3ccc(Cl)cc31)C2 ZINC001165003154 722261861 /nfs/dbraw/zinc/26/18/61/722261861.db2.gz CHOPZTRMGDEOPD-QFIPXVFZSA-N 0 0 425.895 3.350 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc3nccc(Cl)c3cn1)C2 ZINC001165006482 722263860 /nfs/dbraw/zinc/26/38/60/722263860.db2.gz JZLWNLIUUKDMAT-QFIPXVFZSA-N 0 0 425.895 3.350 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ncc3c(n1)-c1ccccc1CC3)C2 ZINC001165006716 722266962 /nfs/dbraw/zinc/26/69/62/722266962.db2.gz LHQVWWHUUDMKGY-SANMLTNESA-N 0 0 443.526 3.309 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc3nc(Cl)cnc3cc1F)C2 ZINC001165007805 722268963 /nfs/dbraw/zinc/26/89/63/722268963.db2.gz XXNJAMSFOQLPHT-JOCHJYFZSA-N 0 0 443.885 3.489 20 0 IGADRN Cc1nc(CO[C@@H]2COC3(C2)CCN([C@@H](F)Oc2cncc(Cl)n2)CC3)cs1 ZINC001165010284 722273301 /nfs/dbraw/zinc/27/33/01/722273301.db2.gz VEDVGAUIBWIBGR-WMLDXEAASA-N 0 0 428.917 3.367 20 0 IGADRN C[C@@H]1CN(C(F)(F)c2nccc(Cl)n2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165010838 722273643 /nfs/dbraw/zinc/27/36/43/722273643.db2.gz XNJCROWWEZYSBQ-WTANOLMUSA-N 0 0 437.878 3.473 20 0 IGADRN COc1ccccc1N1CCN(C(=O)c2ccccc2SCC(=O)N2CCCC2)CC1 ZINC000009868861 132330482 /nfs/dbraw/zinc/33/04/82/132330482.db2.gz SGAYIQBVMPIUDD-UHFFFAOYSA-N 0 0 439.581 3.372 20 0 IGADRN CC(C)C[C@H](CNC(=O)c1cn(-c2ccccc2)nc1-c1cccnc1)N1CCOCC1 ZINC000022898118 519351282 /nfs/dbraw/zinc/35/12/82/519351282.db2.gz NGBQWQUZPOYNJY-JOCHJYFZSA-N 0 0 433.556 3.411 20 0 IGADRN COc1ccc(C(O)=C2[C@@H](c3ccc(F)cc3)NC(=S)N[C@]2(O)C(F)(F)F)cc1 ZINC000035023251 523776623 /nfs/dbraw/zinc/77/66/23/523776623.db2.gz PCPSTTHLCULKOS-HDMKZQKVSA-N 0 0 428.407 3.103 20 0 IGADRN O=S(=O)(c1ccc(Br)cc1)N1CCC[C@H](c2nc(-c3ccccn3)no2)C1 ZINC000021939937 527269667 /nfs/dbraw/zinc/26/96/67/527269667.db2.gz YRBIPNPOJCLRNV-ZDUSSCGKSA-N 0 0 449.330 3.462 20 0 IGADRN O=C(COc1ccccc1C(=O)NC[C@@H]1CCCO1)Nc1ccc(Br)cc1 ZINC000003456202 562936068 /nfs/dbraw/zinc/93/60/68/562936068.db2.gz BKCDUPPANMDVOG-INIZCTEOSA-N 0 0 433.302 3.375 20 0 IGADRN Cc1cccc2sc(NC(=O)CNS(=O)(=O)c3ccc(Br)s3)nc21 ZINC000004104059 562942009 /nfs/dbraw/zinc/94/20/09/562942009.db2.gz RDLXGKSZMKZSLQ-UHFFFAOYSA-N 0 0 446.373 3.346 20 0 IGADRN COc1cc(OC)cc(C(=O)N[C@H](C(=O)OCc2nnc(-c3ccccc3)o2)C(C)C)c1 ZINC000009316331 562969228 /nfs/dbraw/zinc/96/92/28/562969228.db2.gz XDVPYISQOQSSKA-FQEVSTJZSA-N 0 0 439.468 3.252 20 0 IGADRN CCOc1ccccc1N1C[C@@H](C(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CC1=O ZINC000023846704 563027317 /nfs/dbraw/zinc/02/73/17/563027317.db2.gz CKVQJYCAGNQRMO-ZDUSSCGKSA-N 0 0 436.917 3.134 20 0 IGADRN O=C1COC2(C1)CCN(c1nc(CN3CCCCC3)nc3sc4c(c31)CCC4)CC2 ZINC001164389070 718827661 /nfs/dbraw/zinc/82/76/61/718827661.db2.gz GNNYXADVNQXLIY-UHFFFAOYSA-N 0 0 426.586 3.494 20 0 IGADRN O=C1COC2(C1)CCN(c1nc(CN3CCCC3)nc3sc4c(c31)CCCC4)CC2 ZINC001164390788 718827864 /nfs/dbraw/zinc/82/78/64/718827864.db2.gz QYBFSVYDXORTJJ-UHFFFAOYSA-N 0 0 426.586 3.494 20 0 IGADRN O=C(OCC1CC1)c1cnc(Cl)nc1C(F)(F)N1C[C@H]2C(=O)Nc3ccccc3[C@H]2C1 ZINC001164404524 718856494 /nfs/dbraw/zinc/85/64/94/718856494.db2.gz JOKYALKMLYEURK-HUUCEWRRSA-N 0 0 448.857 3.414 20 0 IGADRN CCOC(=O)[C@]12CCO[C@@H]1CCN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164434357 718979082 /nfs/dbraw/zinc/97/90/82/718979082.db2.gz QKWDQMWSXVQJBC-BEFAXECRSA-N 0 0 438.862 3.285 20 0 IGADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164433502 718979643 /nfs/dbraw/zinc/97/96/43/718979643.db2.gz LXUSMFOUSJIQAE-HNAYVOBHSA-N 0 0 441.862 3.385 20 0 IGADRN C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(F)cc1 ZINC001164637494 719235577 /nfs/dbraw/zinc/23/55/77/719235577.db2.gz LSJYVTPNIZXXEF-GJZGRUSLSA-N 0 0 429.521 3.099 20 0 IGADRN COC(=O)c1cc(C(F)(F)N2CC[C@@H]3C[C@@H](c4nc(C)no4)O[C@H]3C2)cnc1Cl ZINC001164647342 719298584 /nfs/dbraw/zinc/29/85/84/719298584.db2.gz DSOPPZJHXJOTBV-SWHYSGLUSA-N 0 0 428.823 3.114 20 0 IGADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCCO[C@H]3[C@@H](N3CCCC3=O)C2)n1 ZINC001164650483 719302502 /nfs/dbraw/zinc/30/25/02/719302502.db2.gz IHEQMGPGRFJGOF-MQIPJXDCSA-N 0 0 432.924 3.003 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)C[C@@H]2CCCO[C@@H]12 ZINC001164650571 719304306 /nfs/dbraw/zinc/30/43/06/719304306.db2.gz JGVUQHSAMMFSJX-POZUXBRTSA-N 0 0 436.890 3.434 20 0 IGADRN CC(C)n1nc(CN(C)C)c2c1CN([C@](F)(COc1cncc(Cl)n1)C(F)F)CC2 ZINC001164651272 719315859 /nfs/dbraw/zinc/31/58/59/719315859.db2.gz ISWRDJNIDHZPFT-LJQANCHMSA-N 0 0 446.905 3.337 20 0 IGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2nc(Cl)cc(Cl)n2)C[C@H]2CCCO[C@H]21 ZINC001164656589 719324060 /nfs/dbraw/zinc/32/40/60/719324060.db2.gz XZLDRMIPRCIZTJ-XHBSWPGZSA-N 0 0 435.302 3.228 20 0 IGADRN CSc1nc(Cl)cc(C(F)(F)N2C[C@@H]3CCCO[C@@H]3[C@@H](NC(=O)CC3CC3)C2)n1 ZINC001164654457 719324198 /nfs/dbraw/zinc/32/41/98/719324198.db2.gz LXFFBBGNNYPPAX-DCGLDWPTSA-N 0 0 446.951 3.297 20 0 IGADRN O=C(CC1CC1)N[C@@H]1CN(C(F)(F)c2c3c(nnc2Cl)CCC3)C[C@@H]2CCCO[C@@H]12 ZINC001164655929 719326083 /nfs/dbraw/zinc/32/60/83/719326083.db2.gz RWBASLJJCRRTJX-URKNILKWSA-N 0 0 440.922 3.064 20 0 IGADRN CCOC(=O)c1cc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)ncn1 ZINC001164664079 719348399 /nfs/dbraw/zinc/34/83/99/719348399.db2.gz QHWSCZNYRRLVGG-UHFFFAOYSA-N 0 0 446.555 3.348 20 0 IGADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nccc3c1NC(=O)CO3)CC2 ZINC001164658998 719350589 /nfs/dbraw/zinc/35/05/89/719350589.db2.gz PEXDJPHCOPOWAG-UHFFFAOYSA-N 0 0 444.539 3.107 20 0 IGADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CCOC3)CC2 ZINC001164660889 719355388 /nfs/dbraw/zinc/35/53/88/719355388.db2.gz ZJDYVAGSKITHQQ-UHFFFAOYSA-N 0 0 430.556 3.244 20 0 IGADRN O=C([C@@H]1C[C@@H]2OCC[C@@H]2N(C(F)(F)c2nc3ccsc3c(Cl)n2)C1)N1CCCC1 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/nfs/dbraw/zinc/08/19/16/722081916.db2.gz WKLMVDGOPPRNMD-CBGDNZLLSA-N 0 0 437.874 3.256 20 0 IGADRN COC(=O)c1cc(C(F)(F)N2C[C@@H]3CC(C(=O)NC4CCC4)C[C@H]3C2)cnc1Cl ZINC001164977568 722084684 /nfs/dbraw/zinc/08/46/84/722084684.db2.gz XCCASXPRYZIQCH-STQMWFEESA-N 0 0 427.879 3.198 20 0 IGADRN O=C(NC1CCC1)[C@@H]1C[C@H]2CN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)C[C@H]2C1 ZINC001164972046 722084725 /nfs/dbraw/zinc/08/47/25/722084725.db2.gz KNPQNWFXQWHLED-QDMKHBRRSA-N 0 0 439.938 3.406 20 0 IGADRN COC(=O)c1ccc(C(F)(F)N2C[C@@H]3C[C@@H](C(=O)NC4CCC4)C[C@@H]3C2)nc1Cl ZINC001164969846 722084771 /nfs/dbraw/zinc/08/47/71/722084771.db2.gz APFMUZQBUSHRRZ-CLLJXQQHSA-N 0 0 427.879 3.198 20 0 IGADRN CSc1ccc(C(F)(F)N2CCCn3c(Cn4cccn4)nnc3C2)nc1Cl ZINC001164971225 722088973 /nfs/dbraw/zinc/08/89/73/722088973.db2.gz APVQUKJIDYVVKZ-UHFFFAOYSA-N 0 0 425.896 3.248 20 0 IGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@H]21 ZINC001164983457 722098050 /nfs/dbraw/zinc/09/80/50/722098050.db2.gz QFNRKAWNGGTUND-IIDMSEBBSA-N 0 0 437.878 3.143 20 0 IGADRN CN1c2ccccc2[C@@]2(CCN(C(F)(F)COC(=O)Nc3cccnc3Cl)C2)C1=O ZINC001164980600 722163166 /nfs/dbraw/zinc/16/31/66/722163166.db2.gz NVPLBKNPKURPDU-IBGZPJMESA-N 0 0 436.846 3.496 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ncc(C)c(N5CCCC5)n4)CC[C@@H]32)cs1 ZINC001164991535 722173786 /nfs/dbraw/zinc/17/37/86/722173786.db2.gz XQJREUICEUHKDO-PMACEKPBSA-N 0 0 428.606 3.020 20 0 IGADRN COC(=O)c1cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@@H]3CC2)ncc1Cl ZINC001164992058 722175873 /nfs/dbraw/zinc/17/58/73/722175873.db2.gz ZUSVMIMRXMFVIQ-QZTJIDSGSA-N 0 0 436.965 3.156 20 0 IGADRN COC(=O)c1c(Cl)ccnc1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164987528 722176010 /nfs/dbraw/zinc/17/60/10/722176010.db2.gz OCJHCTRTMDDARV-IRXDYDNUSA-N 0 0 436.965 3.156 20 0 IGADRN CCOC(=O)c1cc(C)cc(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164991548 722177578 /nfs/dbraw/zinc/17/75/78/722177578.db2.gz XQQPPBSJSILGTG-PMACEKPBSA-N 0 0 430.574 3.201 20 0 IGADRN COc1cccc2c1ncnc2N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164986882 722177958 /nfs/dbraw/zinc/17/79/58/722177958.db2.gz LWYSJFSYZQJPHW-OALUTQOASA-N 0 0 425.558 3.273 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4cnc(Cl)cc4N)CC[C@H]32)cs1 ZINC001164987163 722182616 /nfs/dbraw/zinc/18/26/16/722182616.db2.gz HAXFHFSFWGKKSF-SJORKVTESA-N 0 0 443.951 3.497 20 0 IGADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(F)(F)c3ccc(Cl)nc3)C[C@H]12 ZINC001164992061 722186799 /nfs/dbraw/zinc/18/67/99/722186799.db2.gz RUHVKMGVKMDZQL-HKUYNNGSSA-N 0 0 441.931 3.462 20 0 IGADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN([C@H](F)Oc3ccc(Cl)nc3)C[C@@H]12 ZINC001164988719 722187010 /nfs/dbraw/zinc/18/70/10/722187010.db2.gz FODQKHQQPUQFAH-HOJAQTOUSA-N 0 0 439.940 3.045 20 0 IGADRN CC(C)NC(=O)c1ccc2c(c1)C1(CCN([C@H](F)Oc3ccc(Cl)nc3)CC1)C(=O)N2 ZINC001164991956 722187911 /nfs/dbraw/zinc/18/79/11/722187911.db2.gz UBAJAODPZFTDMK-NRFANRHFSA-N 0 0 446.910 3.491 20 0 IGADRN CC(C)NC(=O)[C@H]1C[C@@H]2[C@H](C1)OCCN2C(F)(F)c1nc(Cl)c2cc(F)ccc2n1 ZINC001164998766 722214956 /nfs/dbraw/zinc/21/49/56/722214956.db2.gz XJSMHBWBLGVXIJ-XZJROXQQSA-N 0 0 442.869 3.476 20 0 IGADRN Cc1cc(Cl)nc(C(F)(F)N2CC[C@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)n1 ZINC001164998600 722219414 /nfs/dbraw/zinc/21/94/14/722219414.db2.gz KFQNPPYOOUWXPZ-IBGZPJMESA-N 0 0 436.846 3.345 20 0 IGADRN COCCO[C@@H]1CCN(C(F)(F)c2cc3cc[nH]c3c(Cl)n2)[C@H]1Cc1cnn(C)c1 ZINC001164999335 722224513 /nfs/dbraw/zinc/22/45/13/722224513.db2.gz LBODVVSYNALSHK-JKSUJKDBSA-N 0 0 439.894 3.348 20 0 IGADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)COc2ccnc(Cl)c2)n1 ZINC001164998964 722226554 /nfs/dbraw/zinc/22/65/54/722226554.db2.gz GLBLTEUXXPUOLS-OAHLLOKOSA-N 0 0 427.883 3.416 20 0 IGADRN CCN(CC)c1ccnc([C@H]2COCCN2C(F)(F)c2nc3ccc(Cl)nc3[nH]2)n1 ZINC001165001328 722227290 /nfs/dbraw/zinc/22/72/90/722227290.db2.gz ZHQUGSRCALUXGO-CYBMUJFWSA-N 0 0 437.882 3.370 20 0 IGADRN Cc1nc(Cl)cc(C(F)(F)N2CCO[C@]3(CCCN(C(=O)c4ccco4)C3)C2)n1 ZINC001165001785 722248846 /nfs/dbraw/zinc/24/88/46/722248846.db2.gz UVUPDTBPIFSZFQ-SFHVURJKSA-N 0 0 426.851 3.088 20 0 IGADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1nc(Cl)ncc1Cl)CCO2 ZINC001165001172 722248991 /nfs/dbraw/zinc/24/89/91/722248991.db2.gz NIFLOODZOLSAOI-KRWDZBQOSA-N 0 0 447.269 3.433 20 0 IGADRN COC(=O)c1ccc2ccnc(N3CC[C@]4(C3)CN(c3cccc(F)c3)C(=O)CN4C)c2c1 ZINC001165005844 722263638 /nfs/dbraw/zinc/26/36/38/722263638.db2.gz DSDAXENQQWEUFX-VWLOTQADSA-N 0 0 448.498 3.088 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1cc(F)cc3ncnc(Cl)c31)C2 ZINC001165006174 722267209 /nfs/dbraw/zinc/26/72/09/722267209.db2.gz HSQLLDAXPCANGG-QFIPXVFZSA-N 0 0 443.885 3.489 20 0 IGADRN COCCCn1c2nnc(SCc3nc(C(C)(C)C)no3)n2c2ccccc2c1=O ZINC000012537645 523501390 /nfs/dbraw/zinc/50/13/90/523501390.db2.gz IJJULUMXRUINNQ-UHFFFAOYSA-N 0 0 428.518 3.054 20 0 IGADRN Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)NC3Cc4ccccc4C3)CC2)c(C)c1 ZINC000040394633 563100531 /nfs/dbraw/zinc/10/05/31/563100531.db2.gz CBOKKGAUMAZCKD-UHFFFAOYSA-N 0 0 426.582 3.296 20 0 IGADRN O=C1COC2(C1)CCN(C(F)(F)Oc1cccc(COc3cncc(Cl)n3)c1)CC2 ZINC001164392564 718828059 /nfs/dbraw/zinc/82/80/59/718828059.db2.gz PROCZPQHHKQPKZ-UHFFFAOYSA-N 0 0 439.846 3.462 20 0 IGADRN CCS(=O)(=O)c1cc(C(F)(F)N2C[C@@H]3C(=O)c4ccccc4[C@@H]3C2)cnc1Cl ZINC001164410081 718850237 /nfs/dbraw/zinc/85/02/37/718850237.db2.gz YQFJTNVGJGVULY-GJZGRUSLSA-N 0 0 426.872 3.490 20 0 IGADRN Cc1cccc(CN2C(=O)COC3(CCN([C@@H](F)Oc4cccc(Cl)n4)CC3)[C@H]2C)n1 ZINC001164428906 718951049 /nfs/dbraw/zinc/95/10/49/718951049.db2.gz LUIGGLLHVQXXMB-IIBYNOLFSA-N 0 0 448.926 3.352 20 0 IGADRN CCOC(=O)[C@@]12CCO[C@H]1CCN(C(F)(F)Oc1ccc3c(Cl)ncnc3c1)C2 ZINC001164434528 718977860 /nfs/dbraw/zinc/97/78/60/718977860.db2.gz RYYYPOIJURKFEI-MAUKXSAKSA-N 0 0 427.835 3.256 20 0 IGADRN CCOC(=O)c1nc2n(n1)CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)C2 ZINC001164617677 719005374 /nfs/dbraw/zinc/00/53/74/719005374.db2.gz UPKAZYHSXMYCTJ-UHFFFAOYSA-N 0 0 426.638 3.375 20 0 IGADRN CCOC(=O)c1nc2n(n1)CCN(C(F)(F)c1cnc(Cl)c(-c3cccnc3)c1)C2 ZINC001164618049 719005918 /nfs/dbraw/zinc/00/59/18/719005918.db2.gz YCNATTSUYWKPJM-UHFFFAOYSA-N 0 0 434.834 3.130 20 0 IGADRN Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC001164631243 719177907 /nfs/dbraw/zinc/17/79/07/719177907.db2.gz BDQGAXJRGNBIJV-DLBZAZTESA-N 0 0 425.558 3.268 20 0 IGADRN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CC[C@@H]2C[C@@H](c3nc(C)no3)O[C@H]2C1 ZINC001164654223 719299085 /nfs/dbraw/zinc/29/90/85/719299085.db2.gz QRTJHXIAKNCPNO-WXHSDQCUSA-N 0 0 428.823 3.114 20 0 IGADRN Cc1noc([C@@H]2C[C@@H]3CCN(C(F)(F)COC(=O)Nc4ccc(Cl)nc4)C[C@@H]3O2)n1 ZINC001164651127 719301570 /nfs/dbraw/zinc/30/15/70/719301570.db2.gz KYCJXRYSENOKCQ-UBHSHLNASA-N 0 0 443.838 3.420 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)C[C@H]2CCCO[C@@H]21 ZINC001164646383 719303590 /nfs/dbraw/zinc/30/35/90/719303590.db2.gz AXBZEVSUUCBLRU-DUXSXAKTSA-N 0 0 436.890 3.434 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)C[C@H]2CCCO[C@@H]21 ZINC001164647459 719305669 /nfs/dbraw/zinc/30/56/69/719305669.db2.gz MHQPTJDBMLVAAJ-OGWOLHLISA-N 0 0 425.907 3.461 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)C2(c3ccc(Cl)nc3)CC2)C[C@@H]2CCCO[C@@H]12 ZINC001164647462 719305774 /nfs/dbraw/zinc/30/57/74/719305774.db2.gz MHQPTJDBMLVAAJ-ZSZQSSIHSA-N 0 0 425.907 3.461 20 0 IGADRN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCc3c(CN(C)C)nn(C(C)C)c3C2)c1 ZINC001164648309 719312428 /nfs/dbraw/zinc/31/24/28/719312428.db2.gz HSPHQGCBGUTWFI-UHFFFAOYSA-N 0 0 441.910 3.468 20 0 IGADRN Cc1oncc1C(=O)N[C@@H]1CN(C(F)(F)c2cc(Cl)ncc2F)C[C@H]2CCCO[C@H]21 ZINC001164655784 719319433 /nfs/dbraw/zinc/31/94/33/719319433.db2.gz YHQMDOXLGNVASU-RGYTYGDFSA-N 0 0 444.841 3.129 20 0 IGADRN NC(=O)c1ccc(C(F)(F)N2CCO[C@@H]3[C@@H](OCC4CCCC4)CC[C@@H]32)nc1Cl ZINC001164659398 719342300 /nfs/dbraw/zinc/34/23/00/719342300.db2.gz CAMJXYIYHMSNIC-ZOBUZTSGSA-N 0 0 429.895 3.322 20 0 IGADRN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc(OC)nc(OC)n1)CC2 ZINC001164664530 719347490 /nfs/dbraw/zinc/34/74/90/719347490.db2.gz XAZMPVHLIRNGAS-UHFFFAOYSA-N 0 0 434.544 3.189 20 0 IGADRN CCOC(=O)c1nccc(N2CCC3(CC2)c2ncc(-c4ccccc4)n2CCN3CC)n1 ZINC001164658029 719354850 /nfs/dbraw/zinc/35/48/50/719354850.db2.gz BIPGQWYCTUWOCB-UHFFFAOYSA-N 0 0 446.555 3.348 20 0 IGADRN CCn1nnc2c1[C@H](COC)CN(C(F)(F)c1cc(Cl)nc(-c3ccncc3)n1)C2 ZINC001164662419 719361634 /nfs/dbraw/zinc/36/16/34/719361634.db2.gz COPPYDOPLSSFNQ-ZDUSSCGKSA-N 0 0 435.866 3.099 20 0 IGADRN CCOC[C@H]1CN(C(F)(F)c2nc(Cl)cc(N(C)C)n2)Cc2nn(CC3CC3)cc21 ZINC001164663706 719362940 /nfs/dbraw/zinc/36/29/40/719362940.db2.gz LGGJUAIABIZCJW-CQSZACIVSA-N 0 0 440.926 3.488 20 0 IGADRN CCOC[C@H]1CN(C(F)(F)c2cnc(Cl)nc2OC)Cc2nn(CC3CC3)cc21 ZINC001164663713 719363878 /nfs/dbraw/zinc/36/38/78/719363878.db2.gz LGYNUWJSFBOPFL-CYBMUJFWSA-N 0 0 427.883 3.430 20 0 IGADRN CCOC[C@H]1CN(C(F)(F)COc2cncc(Cl)n2)Cc2nn(CC3CC3)cc21 ZINC001164663359 719364177 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CS(=O)(=O)N1C[C@H]2CN(C(F)(F)c3cc(Cl)ncc3F)C[C@H]2c2ccccc21 ZINC001164973540 722090055 /nfs/dbraw/zinc/09/00/55/722090055.db2.gz KVYXLNRXQNGOFK-DGCLKSJQSA-N 0 0 431.867 3.419 20 0 IGADRN COc1ccc(C(F)(F)N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)c(Cl)n1 ZINC001164978647 722090075 /nfs/dbraw/zinc/09/00/75/722090075.db2.gz XFYOCMKPLKBNSW-OCCSQVGLSA-N 0 0 443.903 3.288 20 0 IGADRN CS(=O)(=O)N1C[C@@H]2CN(C(F)(F)COc3cccc(Cl)n3)C[C@H]2c2ccccc21 ZINC001164973288 722090233 /nfs/dbraw/zinc/09/02/33/722090233.db2.gz JMXMWCWKCBNTIN-DZGCQCFKSA-N 0 0 443.903 3.202 20 0 IGADRN CS(=O)(=O)N1C[C@H]2CN(c3nc(Cl)ccc3CN3CCCC3)C[C@H]2c2ccccc21 ZINC001164972375 722090240 /nfs/dbraw/zinc/09/02/40/722090240.db2.gz GTPRYIIVLWMATK-IEBWSBKVSA-N 0 0 447.004 3.330 20 0 IGADRN Cc1nc(C(F)(F)N2C[C@@H]3CN(S(C)(=O)=O)c4ccccc4[C@H]3C2)nc(Cl)c1C ZINC001164977593 722090252 /nfs/dbraw/zinc/09/02/52/722090252.db2.gz UXTOFRYXVRIYHC-HIFRSBDPSA-N 0 0 442.919 3.291 20 0 IGADRN NC(=O)c1ccc(C(F)(F)N2CCC3(CC[C@H](C(=O)NCC4CC4)C3)CC2)nc1Cl ZINC001164977704 722091147 /nfs/dbraw/zinc/09/11/47/722091147.db2.gz VQTKETYBHITQJV-AWEZNQCLSA-N 0 0 440.922 3.292 20 0 IGADRN NC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC[C@@H](C(=O)NCC3CC3)C2)CC1 ZINC001164973521 722091682 /nfs/dbraw/zinc/09/16/82/722091682.db2.gz KRVFYCNJLOFLTQ-CQSZACIVSA-N 0 0 440.922 3.292 20 0 IGADRN Cn1cc(N2C[C@@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C[C@@H]3C2=O)cn1 ZINC001164982387 722095046 /nfs/dbraw/zinc/09/50/46/722095046.db2.gz QDSVMROCQAJVPR-HOCLYGCPSA-N 0 0 444.873 3.175 20 0 IGADRN COc1nnc(Cl)cc1C(F)(F)N1C[C@H]2[C@H](C1)c1ccccc1[C@H]2NC(=O)N(C)C ZINC001164974514 722098338 /nfs/dbraw/zinc/09/83/38/722098338.db2.gz AEJGJTGOYTUKIW-JKIFEVAISA-N 0 0 437.878 3.229 20 0 IGADRN Cn1nc(C(=O)N2CCOCC2)c2c1CN(C(F)(F)c1ccc3c(ccnc3Cl)c1)C2 ZINC001164977164 722160396 /nfs/dbraw/zinc/16/03/96/722160396.db2.gz XYDLNPWZONUXAK-UHFFFAOYSA-N 0 0 447.873 3.159 20 0 IGADRN CN1c2ccccc2[C@]2(CCN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)C2)C1=O ZINC001164982225 722162679 /nfs/dbraw/zinc/16/26/79/722162679.db2.gz UXIHHUZFARDXBC-LJQANCHMSA-N 0 0 431.830 3.454 20 0 IGADRN COC(=O)c1ccc(Cl)nc1N1CC[C@@H]2OCCN(Cc3csc(C)n3)[C@H]2CC1 ZINC001164988937 722174184 /nfs/dbraw/zinc/17/41/84/722174184.db2.gz SGFGUGQMUNJFBF-IRXDYDNUSA-N 0 0 436.965 3.156 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)c4nccc(Cl)n4)CC[C@@H]32)cs1 ZINC001164984829 722176571 /nfs/dbraw/zinc/17/65/71/722176571.db2.gz GDMCCPNCCCMAEA-GJZGRUSLSA-N 0 0 429.924 3.310 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nc(Cl)nc5ncccc54)CC[C@@H]32)cs1 ZINC001164990311 722177418 /nfs/dbraw/zinc/17/74/18/722177418.db2.gz VNICTSPGSHLCRO-IRXDYDNUSA-N 0 0 430.965 3.313 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4ccc(Cl)nn4)CC[C@H]32)cs1 ZINC001164991592 722177875 /nfs/dbraw/zinc/17/78/75/722177875.db2.gz YEWWHPBFMBIOHK-HUUCEWRRSA-N 0 0 429.924 3.310 20 0 IGADRN COC(=O)c1cc(Cl)cc(N2CC[C@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164991617 722177928 /nfs/dbraw/zinc/17/79/28/722177928.db2.gz YQKNURSTAQOSSD-ZWKOTPCHSA-N 0 0 436.965 3.156 20 0 IGADRN COc1ccc2cnc(N3CC[C@@H]4OCCN(Cc5csc(C)n5)[C@H]4CC3)nc2c1 ZINC001164991569 722179402 /nfs/dbraw/zinc/17/94/02/722179402.db2.gz XTHJEMHKTSACFT-SFTDATJTSA-N 0 0 425.558 3.273 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4ccc(C(=O)NC(C)(C)C)cn4)CC[C@H]32)cs1 ZINC001164989844 722182041 /nfs/dbraw/zinc/18/20/41/722182041.db2.gz MKTHGZUWGGGLRG-UXHICEINSA-N 0 0 443.617 3.245 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4cnc(Cl)cc4N)CC[C@H]32)cs1 ZINC001164987161 722182378 /nfs/dbraw/zinc/18/23/78/722182378.db2.gz HAXFHFSFWGKKSF-IAGOWNOFSA-N 0 0 443.951 3.497 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nccc(-c5cccnc5F)n4)CC[C@@H]32)cs1 ZINC001164992813 722184235 /nfs/dbraw/zinc/18/42/35/722184235.db2.gz UOQJUCFRPRIODB-PMACEKPBSA-N 0 0 440.548 3.312 20 0 IGADRN CSc1cnc(Cl)c(N2CC[C@@H]3OCCN(Cc4csc(C)n4)[C@H]3CC2)n1 ZINC001164985125 722184651 /nfs/dbraw/zinc/18/46/51/722184651.db2.gz AQVSWKRNTXDUPB-GJZGRUSLSA-N 0 0 426.011 3.487 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(C(F)(F)c4nccnc4Cl)CC[C@@H]32)cs1 ZINC001164987311 722184707 /nfs/dbraw/zinc/18/47/07/722184707.db2.gz JJYGYODFHLNGMY-LSDHHAIUSA-N 0 0 429.924 3.310 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(C)nc(-c5ccccn5)n4)CC[C@H]32)cs1 ZINC001164992897 722184985 /nfs/dbraw/zinc/18/49/85/722184985.db2.gz XRMJMZQPJLWLKS-RTWAWAEBSA-N 0 0 436.585 3.482 20 0 IGADRN Cc1nc(CN2CCO[C@@H]3CCN(c4ncc5ncn(C(C)C)c5n4)CC[C@H]32)cs1 ZINC001164988179 722185236 /nfs/dbraw/zinc/18/52/36/722185236.db2.gz MMGSASZYMPAVIC-RTBURBONSA-N 0 0 427.578 3.042 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4cncc(N5CCCCCC5)n4)CC[C@H]32)cs1 ZINC001164988625 722185923 /nfs/dbraw/zinc/18/59/23/722185923.db2.gz MYUWUXCURWHQFP-RTWAWAEBSA-N 0 0 442.633 3.492 20 0 IGADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN([C@H](F)Oc3ccc(Cl)nc3)C[C@H]12 ZINC001164988720 722187049 /nfs/dbraw/zinc/18/70/49/722187049.db2.gz FODQKHQQPUQFAH-IHPCNDPISA-N 0 0 439.940 3.045 20 0 IGADRN CC(C)C(=O)NCc1nnc2n1CCCN(C(F)(F)Sc1ccc(Cl)nc1)C2 ZINC001164988856 722190435 /nfs/dbraw/zinc/19/04/35/722190435.db2.gz KJYZAQBMFAJCTC-UHFFFAOYSA-N 0 0 430.912 3.147 20 0 IGADRN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)[C@@H]2C1 ZINC001164996518 722215605 /nfs/dbraw/zinc/21/56/05/722215605.db2.gz NSFNWHNLUBEFBG-JCURWCKSSA-N 0 0 440.878 3.216 20 0 IGADRN Cc1ccc(C(F)(F)N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1Cl ZINC001164994377 722218448 /nfs/dbraw/zinc/21/84/48/722218448.db2.gz BKHLBRQYUBFNCB-FQEVSTJZSA-N 0 0 449.889 3.415 20 0 IGADRN CC(C)(c1ccnc(Cl)c1)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001165000235 722219016 /nfs/dbraw/zinc/21/90/16/722219016.db2.gz VSQAUADUZNWBTR-JOCHJYFZSA-N 0 0 427.936 3.292 20 0 IGADRN Cc1nc(Cl)cc(C(F)(F)N2CC[C@@]3(CC(=O)N(c4ccc5c(c4)OCO5)C3)C2)n1 ZINC001164999478 722219735 /nfs/dbraw/zinc/21/97/35/722219735.db2.gz RROLKRWHYUQLOC-LJQANCHMSA-N 0 0 436.846 3.345 20 0 IGADRN COCCO[C@@H]1CCN(C(F)(F)c2c[nH]c3nc(Cl)ccc23)[C@@H]1Cc1cnn(C)c1 ZINC001164999512 722223616 /nfs/dbraw/zinc/22/36/16/722223616.db2.gz SPVYFWPEPMILSM-IAGOWNOFSA-N 0 0 439.894 3.348 20 0 IGADRN CCN(CC)c1ccnc([C@@H]2COCCN2C(F)(F)c2cnc3c(Cl)ncnc3c2)n1 ZINC001164998426 722227231 /nfs/dbraw/zinc/22/72/31/722227231.db2.gz BVUHERUVVZNBQE-HNNXBMFYSA-N 0 0 449.893 3.437 20 0 IGADRN Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)c3cc(Cl)ncc3Cl)C[C@H]2C1 ZINC001165005124 722242439 /nfs/dbraw/zinc/24/24/39/722242439.db2.gz RUGJVEDLLMGGTJ-WBMJQRKESA-N 0 0 445.297 3.249 20 0 IGADRN Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)c3c[nH]c4nc(Cl)ccc43)C[C@@H]2C1 ZINC001165004137 722243256 /nfs/dbraw/zinc/24/32/56/722243256.db2.gz NOMWUZWQOGCZNX-GUYCJALGSA-N 0 0 449.889 3.077 20 0 IGADRN COc1cc(C(F)(F)N2CCc3onc(C(=O)Nc4cccnc4)c3C2)cc(Cl)n1 ZINC001165000130 722247539 /nfs/dbraw/zinc/24/75/39/722247539.db2.gz DQIKGPOQWZQGPE-UHFFFAOYSA-N 0 0 435.818 3.487 20 0 IGADRN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(F)(F)c1nc(Cl)cc(Cl)n1)CCO2 ZINC001165001441 722248733 /nfs/dbraw/zinc/24/87/33/722248733.db2.gz QXTVHEFQQXHAAV-QGZVFWFLSA-N 0 0 447.269 3.433 20 0 IGADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cc(Cl)nc(Cl)n1)CCO2 ZINC001165001396 722248737 /nfs/dbraw/zinc/24/87/37/722248737.db2.gz PTAWACFPBFCSIG-KRWDZBQOSA-N 0 0 447.269 3.433 20 0 IGADRN COc1ccc(C(F)(F)N2CCO[C@@]3(CCCN(C(=O)c4ccco4)C3)C2)nc1Cl ZINC001165001692 722249307 /nfs/dbraw/zinc/24/93/07/722249307.db2.gz SORMKOQRHPKRGG-LJQANCHMSA-N 0 0 441.862 3.393 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccc3c(Cl)ccnc31)C2 ZINC001165004979 722261512 /nfs/dbraw/zinc/26/15/12/722261512.db2.gz SMZXHHCCWDEDSL-JOCHJYFZSA-N 0 0 425.895 3.350 20 0 IGADRN Cc1nc(CO[C@@H]2COC3(C2)CCN(c2ccc(CN4CCOCC4)cn2)CC3)cs1 ZINC001165006309 722272204 /nfs/dbraw/zinc/27/22/04/722272204.db2.gz NGQUESGPAQZYDA-NRFANRHFSA-N 0 0 444.601 3.023 20 0 IGADRN C[C@@H]1CN(C(F)(F)c2cc(Cl)ncn2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165011218 722273207 /nfs/dbraw/zinc/27/32/07/722273207.db2.gz ZFXFFYSWZRZKHE-WTANOLMUSA-N 0 0 437.878 3.473 20 0 IGADRN O=C(NCc1ccccc1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cccc2cccnc21 ZINC000020377733 526734324 /nfs/dbraw/zinc/73/43/24/526734324.db2.gz QXESJZFDLWTTPT-JOCHJYFZSA-N 0 0 445.544 3.441 20 0 IGADRN CCN(Cc1ccccc1)C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC000023132353 563027069 /nfs/dbraw/zinc/02/70/69/563027069.db2.gz NOBRUDKIZKWPKO-UHFFFAOYSA-N 0 0 446.569 3.153 20 0 IGADRN Cc1cccc(CN2C(=O)COC3(CCN([C@@H](F)Oc4ccnc(Cl)c4)CC3)[C@@H]2C)n1 ZINC001164429991 718950396 /nfs/dbraw/zinc/95/03/96/718950396.db2.gz RKBGALRFPYIRPB-HRAATJIYSA-N 0 0 448.926 3.352 20 0 IGADRN CCOC(=O)[C@@]12CCO[C@@H]1CCN(C(F)(F)c1nc(Cl)c3cc(OC)ccc3n1)C2 ZINC001164433501 718979427 /nfs/dbraw/zinc/97/94/27/718979427.db2.gz LXUSMFOUSJIQAE-DNVCBOLYSA-N 0 0 441.862 3.385 20 0 IGADRN CCOC(=O)c1nc2n(n1)CCN(C(F)(F)c1ccc3nc(Cl)nc(Cl)c3c1)C2 ZINC001164617315 719004482 /nfs/dbraw/zinc/00/44/82/719004482.db2.gz RZEDLKMNVFNTJG-UHFFFAOYSA-N 0 0 443.241 3.270 20 0 IGADRN CCOC(=O)c1nc2n(n1)CCN(C(F)(F)c1ccc(-c3cc(Cl)ncn3)cc1)C2 ZINC001164616070 719004828 /nfs/dbraw/zinc/00/48/28/719004828.db2.gz KJWIYJZDZXYOJW-UHFFFAOYSA-N 0 0 434.834 3.130 20 0 IGADRN CN(C)c1cc(Cl)nc(C(F)(F)N2CCO[C@@H]3[C@H](OCc4ccncc4)CC[C@@H]32)n1 ZINC001164647344 719292500 /nfs/dbraw/zinc/29/25/00/719292500.db2.gz ROUWUPMTQITWOG-DAYGRLMNSA-N 0 0 439.894 3.089 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3nc(Cl)cnc3c2)C[C@@H]2CCCO[C@@H]12 ZINC001164646384 719303594 /nfs/dbraw/zinc/30/35/94/719303594.db2.gz AXBZEVSUUCBLRU-WSXQUGQNSA-N 0 0 436.890 3.434 20 0 IGADRN O=C1CCCN1[C@@H]1CN(C(F)(F)c2ccc3cnc(Cl)nc3c2)C[C@@H]2CCCO[C@H]12 ZINC001164650572 719304345 /nfs/dbraw/zinc/30/43/45/719304345.db2.gz JGVUQHSAMMFSJX-YJLNNSPDSA-N 0 0 436.890 3.434 20 0 IGADRN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCc2c(CN(C)C)nn(C(C)C)c2C1 ZINC001164648205 719309730 /nfs/dbraw/zinc/30/97/30/719309730.db2.gz GEIIMXFFKQKUSM-UHFFFAOYSA-N 0 0 441.910 3.468 20 0 IGADRN O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN([C@H](F)Oc3ccc(Cl)nc3)C2)C1 ZINC001164650429 719322006 /nfs/dbraw/zinc/32/20/06/719322006.db2.gz DMUUOHVYWWMIQC-VQTJNVASSA-N 0 0 436.846 3.043 20 0 IGADRN FC(F)(COc1cccc(Cl)n1)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001164652044 719327674 /nfs/dbraw/zinc/32/76/74/719327674.db2.gz AUKMUCBRNIZYCH-UHFFFAOYSA-N 0 0 436.850 3.178 20 0 IGADRN CN(C)C(=O)COCc1noc2c1CN(C(F)(F)c1cc(Cl)cnc1Cl)CC2 ZINC001164659266 719340701 /nfs/dbraw/zinc/34/07/01/719340701.db2.gz ATGURMOZOCWONX-UHFFFAOYSA-N 0 0 435.258 3.089 20 0 IGADRN CCn1nnc2c1[C@@H](COC)CN(C(F)(F)c1ccc([Si](C)(C)C)c(Cl)n1)C2 ZINC001164664431 719361378 /nfs/dbraw/zinc/36/13/78/719361378.db2.gz QJPKGROLOCALPY-GFCCVEGCSA-N 0 0 429.975 3.187 20 0 IGADRN CCOC[C@@H]1CN(C(F)(F)c2ccc(C(N)=O)c(Cl)n2)Cc2nn(CC3CC3)cc21 ZINC001164664794 719362632 /nfs/dbraw/zinc/36/26/32/719362632.db2.gz RTHRZMBSQGQXPE-ZDUSSCGKSA-N 0 0 439.894 3.126 20 0 IGADRN O=c1cc2[nH]c(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c(Cl)cc-2[nH]1 ZINC001164670568 719510396 /nfs/dbraw/zinc/51/03/96/719510396.db2.gz DPJPMIASGVIZQS-UHFFFAOYSA-N 0 0 430.911 3.240 20 0 IGADRN 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Cn1cc(N2C[C@H]3CN(C(F)(F)c4cc(Cl)nc(-c5ccccc5)n4)C[C@@H]3C2=O)cn1 ZINC001164982388 722095155 /nfs/dbraw/zinc/09/51/55/722095155.db2.gz QDSVMROCQAJVPR-ZBFHGGJFSA-N 0 0 444.873 3.175 20 0 IGADRN Cn1cc(N2C[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccnc5)c4)C[C@H]3C2=O)cn1 ZINC001164984542 722096010 /nfs/dbraw/zinc/09/60/10/722096010.db2.gz WYBYIGCRPDKRRC-KBXCAEBGSA-N 0 0 444.873 3.175 20 0 IGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@@H]2CN(C(F)(F)COc3ccc(Cl)nn3)C[C@H]21 ZINC001164983455 722097905 /nfs/dbraw/zinc/09/79/05/722097905.db2.gz QFNRKAWNGGTUND-HDMKZQKVSA-N 0 0 437.878 3.143 20 0 IGADRN CN(C)C(=O)N[C@@H]1c2ccccc2[C@H]2CN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)C[C@H]21 ZINC001164986320 722097936 /nfs/dbraw/zinc/09/79/36/722097936.db2.gz YQOBGFJGWDBLGT-MGPQQGTHSA-N 0 0 447.877 3.049 20 0 IGADRN COc1nnc(Cl)cc1C(F)(F)N1C[C@@H]2[C@@H](NC(=O)N(C)C)c3ccccc3[C@H]2C1 ZINC001164974517 722098308 /nfs/dbraw/zinc/09/83/08/722098308.db2.gz AEJGJTGOYTUKIW-KEYYUXOJSA-N 0 0 437.878 3.229 20 0 IGADRN 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722180515 /nfs/dbraw/zinc/18/05/15/722180515.db2.gz GQOOEFZZRHYIPI-QZTJIDSGSA-N 0 0 428.558 3.122 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4nccc(C(=O)OC(C)(C)C)n4)CC[C@@H]32)cs1 ZINC001164989813 722183685 /nfs/dbraw/zinc/18/36/85/722183685.db2.gz MENWLESVYQLYLD-OALUTQOASA-N 0 0 445.589 3.067 20 0 IGADRN CSc1nc2ncnc(N3CC[C@@H]4[C@H](CC3)OCCN4Cc3csc(C)n3)c2s1 ZINC001164988026 722184176 /nfs/dbraw/zinc/18/41/76/722184176.db2.gz JFEVALZPJLKOLY-CABCVRRESA-N 0 0 448.643 3.443 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(c4cc(N5CCCCC5)ncn4)CC[C@@H]32)cs1 ZINC001164988140 722185023 /nfs/dbraw/zinc/18/50/23/722185023.db2.gz MASOMJXKRCEJEK-PMACEKPBSA-N 0 0 428.606 3.102 20 0 IGADRN Cc1nc(CN2CCO[C@H]3CCN(C(F)(F)Oc4cnc(Cl)cn4)CC[C@@H]32)cs1 ZINC001164990165 722186653 /nfs/dbraw/zinc/18/66/53/722186653.db2.gz QWOUVUOGUOLXAE-GJZGRUSLSA-N 0 0 445.923 3.189 20 0 IGADRN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(F)(F)c1cc(Cl)nc(OC)c1)CC2 ZINC001164992656 722187426 /nfs/dbraw/zinc/18/74/26/722187426.db2.gz 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Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)c3cc(Cl)nc(Cl)c3)C[C@@H]2C1 ZINC001165005981 722242451 /nfs/dbraw/zinc/24/24/51/722242451.db2.gz WLEOFIHZYOCMAT-WFASDCNBSA-N 0 0 445.297 3.249 20 0 IGADRN Cn1cccc1C(=O)N1CCO[C@H]2CN(C(F)(F)Sc3ccc(Cl)nc3)C[C@H]2C1 ZINC001165003371 722245051 /nfs/dbraw/zinc/24/50/51/722245051.db2.gz KGPKDEOQFLEMGA-CJNGLKHVSA-N 0 0 442.919 3.189 20 0 IGADRN O=C(Nc1cccnc1)c1noc2c1CN(C(F)(F)c1c3c(nnc1Cl)CCC3)CC2 ZINC001164999773 722248226 /nfs/dbraw/zinc/24/82/26/722248226.db2.gz CCUWABMCYUQCJB-UHFFFAOYSA-N 0 0 446.845 3.362 20 0 IGADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(c1nc(Cl)ccc1CN1CCCC1)CCO2 ZINC001165000183 722249225 /nfs/dbraw/zinc/24/92/25/722249225.db2.gz FONUXAISGQRUJM-HSZRJFAPSA-N 0 0 444.963 3.435 20 0 IGADRN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(F)(F)c1cc(Cl)nc(=S)[nH]1)CCO2 ZINC001165000214 722249735 /nfs/dbraw/zinc/24/97/35/722249735.db2.gz FOUJKXMTGJSYGF-KRWDZBQOSA-N 0 0 444.891 3.068 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccc(Oc3ccccc3)n1)C2 ZINC001165003141 722262563 /nfs/dbraw/zinc/26/25/63/722262563.db2.gz CGGBZTZTMKUDJI-XMMPIXPASA-N 0 0 433.487 3.336 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1nccc3cc(Cl)ncc31)C2 ZINC001165003656 722262794 /nfs/dbraw/zinc/26/27/94/722262794.db2.gz JKPUEUDDKAQUOO-JOCHJYFZSA-N 0 0 425.895 3.350 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(c1cc(Cl)nc3ncccc13)C2 ZINC001165006459 722263898 /nfs/dbraw/zinc/26/38/98/722263898.db2.gz JMGDNPJUBIZETR-JOCHJYFZSA-N 0 0 425.895 3.350 20 0 IGADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(c1ccc(C(=O)OC(C)(C)C)cn1)C2 ZINC001165006711 722264508 /nfs/dbraw/zinc/26/45/08/722264508.db2.gz LFDLLVPZWANNDG-DEOSSOPVSA-N 0 0 440.519 3.104 20 0 IGADRN Cc1nc2c(nc(Cl)nc2N2CC[C@@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)s1 ZINC001165006186 722265301 /nfs/dbraw/zinc/26/53/01/722265301.db2.gz IAWHOCLAKDVPNQ-HXUWFJFHSA-N 0 0 446.939 3.115 20 0 IGADRN CCc1cc2c(nc(Cl)nc2N2CC[C@]3(C2)CN(c2cccc(F)c2)C(=O)CN3C)[nH]1 ZINC001165007202 722267232 /nfs/dbraw/zinc/26/72/32/722267232.db2.gz 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C[C@@H]1CN(C(F)(F)c2ccnc(Cl)n2)CC[C@@]12CC[C@@H](C(=O)Nc1cccnc1)O2 ZINC001165010956 722273332 /nfs/dbraw/zinc/27/33/32/722273332.db2.gz YFSXOQWSXMCPOX-WTANOLMUSA-N 0 0 437.878 3.473 20 0 IGADRN C[C@@H]1CN(C(F)(F)c2cnc(Cl)cn2)CC[C@@]12CC[C@H](C(=O)Nc1cccnc1)O2 ZINC001165009965 722273621 /nfs/dbraw/zinc/27/36/21/722273621.db2.gz SFUDMAGOGJXQKO-MUKKUYKPSA-N 0 0 437.878 3.473 20 0 IGADRN COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1I ZINC000001659058 562924137 /nfs/dbraw/zinc/92/41/37/562924137.db2.gz FZZHPXNPQQXODO-KRWDZBQOSA-N 0 0 448.260 3.287 20 0 IGADRN O=C(Nc1ccc2c(c1)OCO2)C1CCN(S(=O)(=O)c2cccc3cccnc32)CC1 ZINC000004077413 562941553 /nfs/dbraw/zinc/94/15/53/562941553.db2.gz CQMCYQANMUYEGS-UHFFFAOYSA-N 0 0 439.493 3.003 20 0 IGADRN CN1c2cnc(Cl)nc2N(C2CCCC2)C[C@@](F)(N2C[C@H]3CC(F)(F)[C@@H]3C2)C1=O ZINC001164409763 718870495 /nfs/dbraw/zinc/87/04/95/718870495.db2.gz TZBDDKMRRCHUPF-MJCKAROISA-N 0 0 429.874 3.108 20 0 IGADRN Cc1cccc(CN2C(=O)COC3(CCN([C@H](F)Oc4cccc(Cl)n4)CC3)[C@H]2C)n1 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