smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC001435606787 1064870263 /nfs/dbraw/zinc/87/02/63/1064870263.db2.gz UDUGCCXMCNWGLO-UHFFFAOYSA-N 0 1 453.502 4.817 20 30 JJEDMN COc1cc(C#N)ccc1OCCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC001435606787 1064870276 /nfs/dbraw/zinc/87/02/76/1064870276.db2.gz UDUGCCXMCNWGLO-UHFFFAOYSA-N 0 1 453.502 4.817 20 30 JJEDMN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@H](c1ccco1)N(C)C ZINC001360745914 1065787023 /nfs/dbraw/zinc/78/70/23/1065787023.db2.gz QHIGQLSKTNURIU-HCYUJWNOSA-N 0 1 466.561 4.583 20 30 JJEDMN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@@H](c2cccs2)N(C)C)c1C ZINC001360866885 1065990218 /nfs/dbraw/zinc/99/02/18/1065990218.db2.gz ZEZYIMBNGQLNSM-WMQCIHAUSA-N 0 1 466.655 4.995 20 30 JJEDMN O=C(C#Cc1ccc(C(F)(F)F)cc1)Nc1ccc(NC(=O)CN2CCCCCCC2)cc1 ZINC001361176286 1066494537 /nfs/dbraw/zinc/49/45/37/1066494537.db2.gz LRZJBFNGUCNUQW-UHFFFAOYSA-N 0 1 457.496 4.900 20 30 JJEDMN Cc1nc(SCC(=O)N2CCC[C@@H](c3n[nH]c(C4CCCCC4)n3)C2)c(C#N)c(C)c1C ZINC001446979448 1066760846 /nfs/dbraw/zinc/76/08/46/1066760846.db2.gz FVUWKXLLEGVPEG-LJQANCHMSA-N 0 1 452.628 4.543 20 30 JJEDMN C[C@@H](C#N)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C1CC1 ZINC001457736833 1066907273 /nfs/dbraw/zinc/90/72/73/1066907273.db2.gz RBYZQPOIUBWVFF-ZDUSSCGKSA-N 0 1 452.363 4.558 20 30 JJEDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)c1ccc(OCC(F)(F)F)cn1 ZINC001458081256 1066969592 /nfs/dbraw/zinc/96/95/92/1066969592.db2.gz RTRUXFDLQGAQQK-UHFFFAOYSA-N 0 1 454.277 4.805 20 30 JJEDMN N#Cc1cccc(OCc2cccc(C(=O)NCCc3nnc(-c4ccc(Cl)cc4)[nH]3)c2)c1 ZINC001449263194 1066993642 /nfs/dbraw/zinc/99/36/42/1066993642.db2.gz UFTWKGYPWWZLQM-UHFFFAOYSA-N 0 1 457.921 4.548 20 30 JJEDMN CCC(CC)[C@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 ZINC001545807590 1067127082 /nfs/dbraw/zinc/12/70/82/1067127082.db2.gz KXRYVTKHQKQUTG-JTSKRJEESA-N 0 1 493.483 4.985 20 30 JJEDMN CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1)N1CCOCC1 ZINC001545808031 1067131164 /nfs/dbraw/zinc/13/11/64/1067131164.db2.gz RAYFPOXRRDFFTH-DQEYMECFSA-N 0 1 478.685 4.826 20 30 JJEDMN C#Cc1cccc(CNC(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)c1 ZINC001451441697 1067172614 /nfs/dbraw/zinc/17/26/14/1067172614.db2.gz OAIPNAHVLYGSBD-UHFFFAOYSA-N 0 1 459.354 4.706 20 30 JJEDMN Cc1ccc(CN2CCCN(C(=O)CSc3nc(-c4ccccc4)ccc3C#N)CC2)cc1 ZINC001458946934 1067205332 /nfs/dbraw/zinc/20/53/32/1067205332.db2.gz VRRIEYYQFFQPEJ-UHFFFAOYSA-N 0 1 456.615 4.755 20 30 JJEDMN Cc1c(C)n(Cc2ccccc2)c(NC(=O)CN(Cc2ccc(C#N)cc2)CC(C)C)c1C#N ZINC001459394850 1067312822 /nfs/dbraw/zinc/31/28/22/1067312822.db2.gz ZSHIDTDJKKBAIU-UHFFFAOYSA-N 0 1 453.590 4.993 20 30 JJEDMN CC[C@H](c1ccccc1)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC001459588666 1067358166 /nfs/dbraw/zinc/35/81/66/1067358166.db2.gz WBSYGUBLDOJXEU-AREMUKBSSA-N 0 1 455.606 4.673 20 30 JJEDMN CC[C@@H](c1ccccc1)N1CCN(CC(=O)Nc2c(C#N)c(C)c(C)n2-c2ccccc2)CC1 ZINC001459588672 1067358393 /nfs/dbraw/zinc/35/83/93/1067358393.db2.gz WBSYGUBLDOJXEU-SANMLTNESA-N 0 1 455.606 4.673 20 30 JJEDMN COc1cc(CN[C@H](Cc2nc(C)no2)c2ccccc2)ccc1OCc1cccc(C#N)c1 ZINC001459931370 1067496331 /nfs/dbraw/zinc/49/63/31/1067496331.db2.gz NXCHIJSLWATXRX-XMMPIXPASA-N 0 1 454.530 4.911 20 30 JJEDMN C=C[C@@H]1OCC[C@H]1NCC(=O)Nc1cc(-c2ccc(Cl)cc2Cl)sc1C(=O)OCC ZINC001460107973 1067556554 /nfs/dbraw/zinc/55/65/54/1067556554.db2.gz FXBPBMDFUFRSIS-WBVHZDCISA-N 0 1 469.390 4.770 20 30 JJEDMN COc1ccc([C@@H]2CC[N@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460369588 1067619933 /nfs/dbraw/zinc/61/99/33/1067619933.db2.gz ZSUGTNJXOKGSRB-YJBOKZPZSA-N 0 1 478.408 4.890 20 30 JJEDMN COc1ccc([C@@H]2CC[N@@H+](Cc3ccccc3C(F)(F)F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460369588 1067619937 /nfs/dbraw/zinc/61/99/37/1067619937.db2.gz ZSUGTNJXOKGSRB-YJBOKZPZSA-N 0 1 478.408 4.890 20 30 JJEDMN O=C1[C@H](NCc2ccc(OCC(F)(F)F)c(F)c2)CCN1c1ccccc1C(F)(F)F ZINC001461439111 1067856840 /nfs/dbraw/zinc/85/68/40/1067856840.db2.gz OLAKDKWRKKLNPK-OAHLLOKOSA-N 0 1 450.354 4.681 20 30 JJEDMN C[C@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181795 1068023862 /nfs/dbraw/zinc/02/38/62/1068023862.db2.gz BMZXDMALCKRMIW-HNNXBMFYSA-N 0 1 452.356 4.690 20 30 JJEDMN Cc1cc(Br)cc(C)c1N1CCC[C@H](NC2CC(C#N)(c3ccccc3)C2)C1=O ZINC001462216807 1068030925 /nfs/dbraw/zinc/03/09/25/1068030925.db2.gz ROEOKPFGMKDAIP-DQBMGFJSSA-N 0 1 452.396 4.775 20 30 JJEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@H](CC2CC2)c2cc(F)cc(Br)c2)c(F)c1 ZINC001463559447 1068442518 /nfs/dbraw/zinc/44/25/18/1068442518.db2.gz KKFGCEVWDUIEMR-QGZVFWFLSA-N 0 1 459.287 4.558 20 30 JJEDMN CCCOc1nc2ccccc2cc1/C=C/C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001463835940 1068541758 /nfs/dbraw/zinc/54/17/58/1068541758.db2.gz GZECLOBHLHPJRU-OUKQBFOZSA-N 0 1 454.574 4.643 20 30 JJEDMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@H]3C2)cn1 ZINC001164759747 721247006 /nfs/dbraw/zinc/24/70/06/721247006.db2.gz BIZXIOOSIDNXGK-LEWJYISDSA-N 0 1 482.966 4.510 20 30 JJEDMN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913072 721735660 /nfs/dbraw/zinc/73/56/60/721735660.db2.gz RZFILWRRHVLXBD-DEOSSOPVSA-N 0 1 496.949 4.927 20 30 JJEDMN N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164911212 721735868 /nfs/dbraw/zinc/73/58/68/721735868.db2.gz IQPBETIVMNCPRT-XMMPIXPASA-N 0 1 496.949 4.927 20 30 JJEDMN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913073 721736306 /nfs/dbraw/zinc/73/63/06/721736306.db2.gz RZFILWRRHVLXBD-XMMPIXPASA-N 0 1 496.949 4.927 20 30 JJEDMN Cc1ccc(CN2CCOC3(CCN(c4cc(F)c(C#N)cc4-c4ccnc(Cl)n4)CC3)C2)cc1 ZINC001164940947 721926823 /nfs/dbraw/zinc/92/68/23/721926823.db2.gz XCJYBGJHWHVUCM-UHFFFAOYSA-N 0 1 491.998 4.988 20 30 JJEDMN CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@H](c1ccsc1)N(C)C ZINC001359716882 1064265716 /nfs/dbraw/zinc/26/57/16/1064265716.db2.gz YZYVBBRXRNFEJB-JOCHJYFZSA-N 0 1 484.073 4.618 20 30 JJEDMN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001359733464 1064291284 /nfs/dbraw/zinc/29/12/84/1064291284.db2.gz YYBAMFYXQSHCAG-QPPBQGQZSA-N 0 1 478.666 4.966 20 30 JJEDMN CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1 ZINC001359795992 1064455568 /nfs/dbraw/zinc/45/55/68/1064455568.db2.gz RPMFHNJKJOJNLG-VXKWHMMOSA-N 0 1 476.669 4.530 20 30 JJEDMN CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001360409957 1065273792 /nfs/dbraw/zinc/27/37/92/1065273792.db2.gz ZABULWVQOLXUFU-YADHBBJMSA-N 0 1 490.574 4.657 20 30 JJEDMN CC(C)(C)OC(=O)N[C@@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC001438136340 1065676866 /nfs/dbraw/zinc/67/68/66/1065676866.db2.gz OTXPYZFTPVYHMS-QGZVFWFLSA-N 0 1 459.428 4.658 20 30 JJEDMN C[C@@H](CCc1ccc(I)cc1)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001438136494 1065677126 /nfs/dbraw/zinc/67/71/26/1065677126.db2.gz PMSAKIRREHCWNJ-ZDUSSCGKSA-N 0 1 458.303 4.637 20 30 JJEDMN C[C@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CC=CCC2)C1 ZINC001360788077 1065902197 /nfs/dbraw/zinc/90/21/97/1065902197.db2.gz KQQIHZLPWYULND-HSZRJFAPSA-N 0 1 475.424 4.556 20 30 JJEDMN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(NC(=O)OC(C)(C)C)c(C)c3)[nH]n2)c1C ZINC001453977016 1066228367 /nfs/dbraw/zinc/22/83/67/1066228367.db2.gz FSXCTJMUEZPGQJ-UHFFFAOYSA-N 0 1 450.543 4.984 20 30 JJEDMN Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)s1 ZINC001361249824 1066594441 /nfs/dbraw/zinc/59/44/41/1066594441.db2.gz GWWZIIAUWPPXTK-KDURUIRLSA-N 0 1 478.666 4.711 20 30 JJEDMN CCN(C[C@H](C)C#N)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl ZINC001457572049 1066867918 /nfs/dbraw/zinc/86/79/18/1066867918.db2.gz DNRXDXYPKCVMMO-CQSZACIVSA-N 0 1 454.379 4.724 20 30 JJEDMN COc1ccc2nc([C@@H](C)NC(=O)C3(C)CCN(c4ccc(Cl)cc4C#N)CC3)[nH]c2c1 ZINC001448123682 1066902632 /nfs/dbraw/zinc/90/26/32/1066902632.db2.gz PDUJISIEBORUOY-OAHLLOKOSA-N 0 1 451.958 4.580 20 30 JJEDMN N#Cc1cccc(-c2n[nH]c(NC(=O)Cc3csc(-c4cccc(C(F)(F)F)c4)n3)n2)c1 ZINC001458041368 1066959412 /nfs/dbraw/zinc/95/94/12/1066959412.db2.gz IDOMTEFGENEFRH-UHFFFAOYSA-N 0 1 454.437 4.667 20 30 JJEDMN CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CCC(C)=C(C)C1)N1CCOCC1 ZINC001545807851 1067128733 /nfs/dbraw/zinc/12/87/33/1067128733.db2.gz OYCJODWQOAONDQ-RUZDIDTESA-N 0 1 462.642 4.500 20 30 JJEDMN C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@H]3CCCc4c(OC)ccc(Cl)c43)n[nH]2)c1C ZINC001452767954 1067249953 /nfs/dbraw/zinc/24/99/53/1067249953.db2.gz NVQPGKQBGMYUNI-FQEVSTJZSA-N 0 1 453.974 4.888 20 30 JJEDMN C=CCOc1ccc(CN(CC(=O)Nc2sc3c(c2C(=O)OC)CCC3)C(C)(C)C)cc1 ZINC001459744342 1067403414 /nfs/dbraw/zinc/40/34/14/1067403414.db2.gz AJZTUGLKVSDLSG-UHFFFAOYSA-N 0 1 456.608 4.827 20 30 JJEDMN CCO[C@@H]1C[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748448 1067404967 /nfs/dbraw/zinc/40/49/67/1067404967.db2.gz LNBWSLIBCKIDQD-BJKOFHAPSA-N 0 1 450.627 4.879 20 30 JJEDMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN[C@@]3(CO)CCc4ccccc43)sc2C1 ZINC001459785265 1067421649 /nfs/dbraw/zinc/42/16/49/1067421649.db2.gz HIBQBWFKEGIAIU-WXTAPIANSA-N 0 1 451.636 4.523 20 30 JJEDMN CCCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@H](C)CC(=O)Nc1ccccc1 ZINC001460003404 1067522794 /nfs/dbraw/zinc/52/27/94/1067522794.db2.gz PXWVDCLGICOMEU-GOSISDBHSA-N 0 1 452.624 4.956 20 30 JJEDMN CCCCOc1c(Cl)cc(C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)cc1OC ZINC001461246628 1067809030 /nfs/dbraw/zinc/80/90/30/1067809030.db2.gz RZQOITPWHIEETE-UHFFFAOYSA-N 0 1 455.986 4.794 20 30 JJEDMN C[C@](CO)(NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(Br)c1 ZINC001461822128 1067942176 /nfs/dbraw/zinc/94/21/76/1067942176.db2.gz YEIKRNSVEQBLIZ-XMMPIXPASA-N 0 1 451.364 4.897 20 30 JJEDMN C=CCOc1cccc([N-]S(=O)(=O)[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c1 ZINC001463390280 1068381845 /nfs/dbraw/zinc/38/18/45/1068381845.db2.gz IFQITIIUZNKEDY-IZZNHLLZSA-N 0 1 466.578 4.800 20 30 JJEDMN C=CCOc1cccc([N-]S(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)c1 ZINC001463390280 1068381869 /nfs/dbraw/zinc/38/18/69/1068381869.db2.gz IFQITIIUZNKEDY-IZZNHLLZSA-N 0 1 466.578 4.800 20 30 JJEDMN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ncc(Cc4ccc(C)c(F)c4)s3)[nH]n2)c1C ZINC001464289021 1068692807 /nfs/dbraw/zinc/69/28/07/1068692807.db2.gz BKBUSRPZWQXEAE-UHFFFAOYSA-N 0 1 450.543 4.823 20 30 JJEDMN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ncc(Cc4ccc(F)cc4F)s3)[nH]n2)c1C ZINC001464414951 1068738141 /nfs/dbraw/zinc/73/81/41/1068738141.db2.gz GUGSPOIIOGINNV-UHFFFAOYSA-N 0 1 454.506 4.654 20 30 JJEDMN N#Cc1cc(-c2ccnc(Cl)n2)c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1F ZINC001164698462 719892917 /nfs/dbraw/zinc/89/29/17/719892917.db2.gz ULWYLKSQIYJLMR-UHFFFAOYSA-N 0 1 484.000 4.741 20 30 JJEDMN N#Cc1cnc(N2CCc3ncc(CN4CCCC4)n3CC2)c2cc(-c3ccccc3)sc21 ZINC001164728887 720567342 /nfs/dbraw/zinc/56/73/42/720567342.db2.gz PFFCITXXAJMPGZ-UHFFFAOYSA-N 0 1 454.603 4.690 20 30 JJEDMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3c(C#N)c(Cl)nc4cccc(C)c43)C2)C1 ZINC001164780730 721376989 /nfs/dbraw/zinc/37/69/89/721376989.db2.gz IJFFRYKUFYXCNY-AREMUKBSSA-N 0 1 480.012 4.792 20 30 JJEDMN N#Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164906614 721568031 /nfs/dbraw/zinc/56/80/31/721568031.db2.gz KIEOTSMSPMRTCP-FPOVZHCZSA-N 0 1 499.924 4.695 20 30 JJEDMN COc1cc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c(C#N)c(Cl)n1 ZINC001165014777 721767685 /nfs/dbraw/zinc/76/76/85/721767685.db2.gz ISYNLUHRFXEMRQ-UHFFFAOYSA-N 0 1 455.852 4.672 20 30 JJEDMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc(Cl)nc2Oc2cccc(C#N)c2)CC1 ZINC001165031207 721845127 /nfs/dbraw/zinc/84/51/27/721845127.db2.gz YBGLHBMZXMTTOG-UHFFFAOYSA-N 0 1 493.995 4.912 20 30 JJEDMN Cc1ccc(CN2CCOC3(CCN(c4cnc(Cl)nc4Oc4cccc(C#N)c4)CC3)C2)cc1 ZINC001164942719 721933054 /nfs/dbraw/zinc/93/30/54/721933054.db2.gz MQAQWDHBNMWZIM-UHFFFAOYSA-N 0 1 490.007 4.974 20 30 JJEDMN CCCN1CCN(c2ccc(NC(=O)[C@H](Oc3ccccc3C#N)C(C)C)cc2Cl)CC1 ZINC001434885454 1064317589 /nfs/dbraw/zinc/31/75/89/1064317589.db2.gz WFPWAOMASISFER-XMMPIXPASA-N 0 1 455.002 4.786 20 30 JJEDMN C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@H](C)N(Cc3ccccc3)C[C@@H]2C)s1 ZINC001435567480 1064838887 /nfs/dbraw/zinc/83/88/87/1064838887.db2.gz UVFWTIKZAMRMJD-IRXDYDNUSA-N 0 1 450.073 4.960 20 30 JJEDMN CC(C)OCCN1CCN(c2nnc(-c3cccc(C#N)c3)n2C[C@H]2CCCCC(F)(F)C2)CC1 ZINC001360409317 1065272757 /nfs/dbraw/zinc/27/27/57/1065272757.db2.gz DCTPCLOGMHATLF-QFIPXVFZSA-N 0 1 486.611 4.579 20 30 JJEDMN CC(C)SCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001360417599 1065282298 /nfs/dbraw/zinc/28/22/98/1065282298.db2.gz YGTVKMLIWJOESQ-UHFFFAOYSA-N 0 1 489.432 4.928 20 30 JJEDMN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001436428954 1065317428 /nfs/dbraw/zinc/31/74/28/1065317428.db2.gz BTBMSVMKQUZGKX-SANMLTNESA-N 0 1 455.606 4.549 20 30 JJEDMN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](c1ccco1)N1CCCC1 ZINC001360469365 1065384609 /nfs/dbraw/zinc/38/46/09/1065384609.db2.gz BIMOGYYRMCPGGN-HZPDHXFCSA-N 0 1 489.443 4.938 20 30 JJEDMN C[C@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](c1ccco1)N(C)C ZINC001360470101 1065386660 /nfs/dbraw/zinc/38/66/60/1065386660.db2.gz LLMDBCVCCZXVIR-KDOFPFPSSA-N 0 1 491.821 4.995 20 30 JJEDMN N#Cc1ccc2nc(NC(=O)c3cc(I)c(Cl)cc3Cl)[nH]c2c1 ZINC001438136153 1065676984 /nfs/dbraw/zinc/67/69/84/1065676984.db2.gz LSPMLOAHTJVDNO-UHFFFAOYSA-N 0 1 457.058 4.598 20 30 JJEDMN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@@H](C)C#N)n2C[C@H](c2cccs2)N(C)C)c1C ZINC001360866883 1065990315 /nfs/dbraw/zinc/99/03/15/1065990315.db2.gz ZEZYIMBNGQLNSM-IOMROCGXSA-N 0 1 466.655 4.995 20 30 JJEDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@H](C)O1 ZINC001441330211 1066029561 /nfs/dbraw/zinc/02/95/61/1066029561.db2.gz ZKNMBXSFHGRWRU-OYRHEFFESA-N 0 1 455.558 4.890 20 30 JJEDMN N#Cc1cccc(COc2ccc(NC(=O)C3CCC(N4CCOCC4)CC3)cc2Cl)c1 ZINC001443100935 1066268876 /nfs/dbraw/zinc/26/88/76/1066268876.db2.gz TWYRRMMYXZHIOG-UHFFFAOYSA-N 0 1 453.970 4.620 20 30 JJEDMN O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCc2[nH]cnc2C1 ZINC001546069531 1066367425 /nfs/dbraw/zinc/36/74/25/1066367425.db2.gz ORDPJUPHWIJSLF-RMLUDKJBSA-N 0 1 459.312 4.972 20 30 JJEDMN CC(C)Cn1[nH]c(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cc1=O ZINC001361275846 1066633551 /nfs/dbraw/zinc/63/35/51/1066633551.db2.gz NCBHBGGQISVVSH-UHFFFAOYSA-N 0 1 458.440 4.696 20 30 JJEDMN CC(C)(C(=O)Nc1nc(-c2cccc(C#N)c2)n[nH]1)c1csc(-c2c(F)cccc2F)n1 ZINC001458039604 1066958946 /nfs/dbraw/zinc/95/89/46/1066958946.db2.gz AWOTVDABKNRJQW-UHFFFAOYSA-N 0 1 450.474 4.661 20 30 JJEDMN N#Cc1cccc(-c2n[nH]c(NC(=O)C3(c4cccc(Br)c4)CCCCC3)n2)c1 ZINC001458050921 1066961296 /nfs/dbraw/zinc/96/12/96/1066961296.db2.gz XCGPYRWKHLCFHX-UHFFFAOYSA-N 0 1 450.340 4.946 20 30 JJEDMN COc1ccc(-c2nc(SCc3nnc(-c4cccc(Cl)c4)o3)[nH]c(=O)c2C#N)cc1 ZINC001458829191 1067160820 /nfs/dbraw/zinc/16/08/20/1067160820.db2.gz OUFGOMGENYQHQC-UHFFFAOYSA-N 0 1 451.895 4.725 20 30 JJEDMN COc1ccc(Cl)cc1NS(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C#N)c2)c1 ZINC001451386560 1067162510 /nfs/dbraw/zinc/16/25/10/1067162510.db2.gz GMOOOTNAUKPBPD-UHFFFAOYSA-N 0 1 455.923 4.582 20 30 JJEDMN C[C@H]1[C@@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC001452516974 1067230543 /nfs/dbraw/zinc/23/05/43/1067230543.db2.gz LVSOJIYJFJWTFF-UGSOOPFHSA-N 0 1 465.859 4.676 20 30 JJEDMN C=CCOc1ccc(CN(CC(=O)NCC(=O)Nc2cccc(Cl)c2C)C(C)(C)C)cc1 ZINC001459745439 1067403978 /nfs/dbraw/zinc/40/39/78/1067403978.db2.gz FIFRIQOUBLLGER-UHFFFAOYSA-N 0 1 458.002 4.569 20 30 JJEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC[C@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001460015260 1067528364 /nfs/dbraw/zinc/52/83/64/1067528364.db2.gz IVEOKMQUYZEZBW-FCHUYYIVSA-N 0 1 456.631 4.565 20 30 JJEDMN Cc1c(C)n(-c2ccccc2)c(NC(=O)CN[C@H](C)c2ccc(-n3cccn3)c(F)c2)c1C#N ZINC001460146058 1067564491 /nfs/dbraw/zinc/56/44/91/1067564491.db2.gz JTDJPKIJMBGPDZ-GOSISDBHSA-N 0 1 456.525 4.580 20 30 JJEDMN C#CC[N@H+](Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460777523 1067721707 /nfs/dbraw/zinc/72/17/07/1067721707.db2.gz FKHPGXZFMZUURS-UHFFFAOYSA-N 0 1 455.002 4.940 20 30 JJEDMN C#CCN(Cc1cc(C)nc(-c2ccc(Cl)cc2)n1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460777523 1067721711 /nfs/dbraw/zinc/72/17/11/1067721711.db2.gz FKHPGXZFMZUURS-UHFFFAOYSA-N 0 1 455.002 4.940 20 30 JJEDMN C=CCc1cc(CNCc2cn(-c3ccccc3Br)nc2C)cc(OC)c1OC ZINC001461182114 1067794311 /nfs/dbraw/zinc/79/43/11/1067794311.db2.gz SVACGUQYGDBHNX-UHFFFAOYSA-N 0 1 456.384 4.979 20 30 JJEDMN CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC001461739532 1067928577 /nfs/dbraw/zinc/92/85/77/1067928577.db2.gz XZIIWDUUDNYMEE-CLCOLTQESA-N 0 1 456.395 4.904 20 30 JJEDMN Cn1cc(CN2C[C@@H](c3cccc(F)c3)[C@H](NC(=O)OC(C)(C)C)C2)c(-c2ccc(C#N)cc2)n1 ZINC001462334632 1068052890 /nfs/dbraw/zinc/05/28/90/1068052890.db2.gz CNCPGEYLUIYNBC-BJKOFHAPSA-N 0 1 475.568 4.591 20 30 JJEDMN CCN1CCN(c2ccc(NC(=O)c3ccc(OCc4ccccc4C#N)cc3)cc2F)CC1 ZINC001462357277 1068058284 /nfs/dbraw/zinc/05/82/84/1068058284.db2.gz IXEQSJSPUOTXRT-UHFFFAOYSA-N 0 1 458.537 4.671 20 30 JJEDMN [O-]c1cccc(Br)c1C[NH+]1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001462623593 1068115073 /nfs/dbraw/zinc/11/50/73/1068115073.db2.gz AGBAMOORVFSROP-IUCAKERBSA-N 0 1 454.155 4.758 20 30 JJEDMN Oc1cccc(Br)c1CN1C[C@H]2[C@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001462623593 1068115076 /nfs/dbraw/zinc/11/50/76/1068115076.db2.gz AGBAMOORVFSROP-IUCAKERBSA-N 0 1 454.155 4.758 20 30 JJEDMN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(Cl)c(C#N)c1)c1ccc(C(F)(F)F)cc1 ZINC001462920953 1068214909 /nfs/dbraw/zinc/21/49/09/1068214909.db2.gz FXRLTHIFRBFQCH-IBGZPJMESA-N 0 1 459.921 4.592 20 30 JJEDMN O=S(=O)(N[C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1F ZINC001463487454 1068417199 /nfs/dbraw/zinc/41/71/99/1068417199.db2.gz ZQZWPBFFMDGYQJ-JTQLQIEISA-N 0 1 450.763 4.865 20 30 JJEDMN Cc1nc(CN2CCCC23CCN(c2ccc([C@H](C#N)c4ccc(C)cc4)nn2)CC3)cs1 ZINC001164693312 719804602 /nfs/dbraw/zinc/80/46/02/719804602.db2.gz RXWJAKMQWSVAKH-HSZRJFAPSA-N 0 1 458.635 4.840 20 30 JJEDMN N#Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164870581 721195858 /nfs/dbraw/zinc/19/58/58/721195858.db2.gz VUOCAAQZZCMMJO-DHIUTWEWSA-N 0 1 495.961 4.693 20 30 JJEDMN CSc1nc(-c2ccccc2)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1C#N ZINC001164908100 721712231 /nfs/dbraw/zinc/71/22/31/721712231.db2.gz VOCBGNSDDOIJFB-VWLOTQADSA-N 0 1 492.599 4.870 20 30 JJEDMN N#Cc1ccc(-c2cccs2)nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164909862 721725698 /nfs/dbraw/zinc/72/56/98/721725698.db2.gz DZPNXBWBSOYTFR-HSZRJFAPSA-N 0 1 451.546 4.814 20 30 JJEDMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc(Cl)nc2Oc2ccc(C#N)cc2)CC1 ZINC001165030982 721845165 /nfs/dbraw/zinc/84/51/65/721845165.db2.gz NOAXRRYHXIEKDW-UHFFFAOYSA-N 0 1 493.995 4.912 20 30 JJEDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@@H](O)c1ccccc1C(F)(F)F ZINC001545884067 1064300392 /nfs/dbraw/zinc/30/03/92/1064300392.db2.gz IQTCMVOHIIRILB-ZDUSSCGKSA-N 0 1 453.289 4.908 20 30 JJEDMN C=CC[C@]1(C(=O)Nc2cccc(CN3CCSCC3)c2C)CCCN1C(=O)OC(C)(C)C ZINC001434917476 1064344297 /nfs/dbraw/zinc/34/42/97/1064344297.db2.gz KURCRLXRSWQKFK-RUZDIDTESA-N 0 1 459.656 4.828 20 30 JJEDMN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCSCC1 ZINC001360470209 1065387331 /nfs/dbraw/zinc/38/73/31/1065387331.db2.gz NRHVCOVIESCIAH-KRWDZBQOSA-N 0 1 470.643 4.600 20 30 JJEDMN C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001360479052 1065396624 /nfs/dbraw/zinc/39/66/24/1065396624.db2.gz QDXNGQCOBCMQQU-SIKLNZKXSA-N 0 1 450.562 4.567 20 30 JJEDMN C[C@@H](Oc1ccccc1Cc1ccccc1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC001437245095 1065525100 /nfs/dbraw/zinc/52/51/00/1065525100.db2.gz PSNLUZFCSZTXFE-JOCHJYFZSA-N 0 1 453.586 4.697 20 30 JJEDMN C[C@@]1(C#N)CCCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CC=CCC2)C1 ZINC001360788078 1065902047 /nfs/dbraw/zinc/90/20/47/1065902047.db2.gz KQQIHZLPWYULND-QHCPKHFHSA-N 0 1 475.424 4.556 20 30 JJEDMN Cc1cc(CN2CCSCC2)ccc1NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001442542814 1066134790 /nfs/dbraw/zinc/13/47/90/1066134790.db2.gz GKKUZMJMZLFFFX-UHFFFAOYSA-N 0 1 457.603 4.675 20 30 JJEDMN Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](c2ccco2)N(C)C)c(C)n1-c1ccccc1 ZINC001361045250 1066269209 /nfs/dbraw/zinc/26/92/09/1066269209.db2.gz RBQUMJDEOLKIMB-YADARESESA-N 0 1 471.609 4.987 20 30 JJEDMN CN(C)C[C@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1 ZINC001454537160 1066297026 /nfs/dbraw/zinc/29/70/26/1066297026.db2.gz GJXUJYLADRDOFU-NRFANRHFSA-N 0 1 454.452 4.797 20 30 JJEDMN CC(C)(C)OC(=O)N1CCC(c2nc3ccc(NC(=O)Cc4ccc(C#N)cc4)cc3[nH]2)CC1 ZINC001455630120 1066417255 /nfs/dbraw/zinc/41/72/55/1066417255.db2.gz ZPLAOFOQTGKXIN-UHFFFAOYSA-N 0 1 459.550 4.730 20 30 JJEDMN C[C@]1(C#N)CCCN(C(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 ZINC001546084616 1066678241 /nfs/dbraw/zinc/67/82/41/1066678241.db2.gz OMHUAZUPLMZSCA-HXUWFJFHSA-N 0 1 452.363 4.560 20 30 JJEDMN Cc1cc([N+](=O)[O-])c(F)c(C(=O)Nc2ccc3nc(C(F)(F)C(F)(F)F)[nH]c3c2)c1F ZINC001446329203 1066691175 /nfs/dbraw/zinc/69/11/75/1066691175.db2.gz AMIQKJVOWYACJY-UHFFFAOYSA-N 0 1 450.270 4.964 20 30 JJEDMN Cc1nc(SCC(=O)N2CCC[C@H](c3n[nH]c(C4CCCCC4)n3)C2)c(C#N)c(C)c1C ZINC001446979444 1066760976 /nfs/dbraw/zinc/76/09/76/1066760976.db2.gz FVUWKXLLEGVPEG-IBGZPJMESA-N 0 1 452.628 4.543 20 30 JJEDMN C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c(Cl)cc2Cl)C1 ZINC001457892915 1066937663 /nfs/dbraw/zinc/93/76/63/1066937663.db2.gz FYWJDZXQKBERBF-OAHLLOKOSA-N 0 1 451.375 4.588 20 30 JJEDMN COc1ccc(-c2n[nH]c(Sc3nc(C(F)(F)F)ccc3C#N)n2)cc1Br ZINC001458366881 1067043091 /nfs/dbraw/zinc/04/30/91/1067043091.db2.gz WPMXKFONGVBCSE-UHFFFAOYSA-N 0 1 456.247 4.679 20 30 JJEDMN CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCC[C@H](C)C1)N1CCOCC1 ZINC001545807953 1067130371 /nfs/dbraw/zinc/13/03/71/1067130371.db2.gz QAKWFNCHRBHIOI-BYXVTNLJSA-N 0 1 478.685 4.969 20 30 JJEDMN C[C@@H](NC(=O)[C@@H](C)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC001459747962 1067404917 /nfs/dbraw/zinc/40/49/17/1067404917.db2.gz LGPGWRHPAMLUIN-WOJBJXKFSA-N 0 1 454.574 4.628 20 30 JJEDMN CCO[C@@H]1C[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748462 1067404933 /nfs/dbraw/zinc/40/49/33/1067404933.db2.gz LNBWSLIBCKIDQD-DNQXCXABSA-N 0 1 450.627 4.879 20 30 JJEDMN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN[C@@]3(CO)CCc4ccccc43)sc2C1 ZINC001459784983 1067421562 /nfs/dbraw/zinc/42/15/62/1067421562.db2.gz HIBQBWFKEGIAIU-HFJWLAOPSA-N 0 1 451.636 4.523 20 30 JJEDMN C=CCN(C(=O)CN(C)CC1CCOCC1)c1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001459890775 1067475305 /nfs/dbraw/zinc/47/53/05/1067475305.db2.gz DUTXRSVJCIAQHF-UHFFFAOYSA-N 0 1 454.423 4.994 20 30 JJEDMN C=CC[C@@H]1N(CC(=O)Nc2cccc(S(=O)(=O)N(C)c3ccccc3)c2)CCCC1(C)C ZINC001460030818 1067534019 /nfs/dbraw/zinc/53/40/19/1067534019.db2.gz PYNROZHYNGUNOL-QHCPKHFHSA-N 0 1 455.624 4.517 20 30 JJEDMN C[C@@H](NCC(=O)Nc1ccccc1SC[C@@H](C)C#N)c1ccc(N2CCCOC2=O)cc1 ZINC001460157524 1067566796 /nfs/dbraw/zinc/56/67/96/1067566796.db2.gz MJTLOPMWESZESR-ZWKOTPCHSA-N 0 1 452.580 4.574 20 30 JJEDMN CC(C)(C)OC(=O)N1CCC[C@@H]([C@H]2CCCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211585 1067580322 /nfs/dbraw/zinc/58/03/22/1067580322.db2.gz GWSVEIGHUVTDQE-NHCUHLMSSA-N 0 1 451.571 4.610 20 30 JJEDMN CC(C)(C)OC(=O)N1CCC[C@@H]([C@@H]2CCCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211588 1067580338 /nfs/dbraw/zinc/58/03/38/1067580338.db2.gz GWSVEIGHUVTDQE-RTWAWAEBSA-N 0 1 451.571 4.610 20 30 JJEDMN CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@H](c2ccco2)N(C)C)CCS1 ZINC001546115167 1067593876 /nfs/dbraw/zinc/59/38/76/1067593876.db2.gz UZBFDBQTOXRLAZ-OAQYLSRUSA-N 0 1 464.639 4.825 20 30 JJEDMN CC[C@H](C#N)Oc1cc(CNCc2cccc3c2N(C(=O)OC(C)(C)C)CC3)ccc1OC ZINC001461196416 1067797464 /nfs/dbraw/zinc/79/74/64/1067797464.db2.gz FMZKLLCXSOHQRL-OAQYLSRUSA-N 0 1 451.567 4.964 20 30 JJEDMN O=C1[C@@H](NCc2ccc(OCC(F)(F)F)c(F)c2)CCN1c1ccccc1C(F)(F)F ZINC001461439109 1067856862 /nfs/dbraw/zinc/85/68/62/1067856862.db2.gz OLAKDKWRKKLNPK-HNNXBMFYSA-N 0 1 450.354 4.681 20 30 JJEDMN O=C([N-][C@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001462414821 1068069913 /nfs/dbraw/zinc/06/99/13/1068069913.db2.gz QZNNAJHKHXTMLF-RDJZCZTQSA-N 0 1 464.381 4.603 20 30 JJEDMN O=C([N-][C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001462414821 1068069928 /nfs/dbraw/zinc/06/99/28/1068069928.db2.gz QZNNAJHKHXTMLF-RDJZCZTQSA-N 0 1 464.381 4.603 20 30 JJEDMN O=S(=O)(N[C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1F ZINC001463487458 1068417149 /nfs/dbraw/zinc/41/71/49/1068417149.db2.gz ZQZWPBFFMDGYQJ-SNVBAGLBSA-N 0 1 450.763 4.865 20 30 JJEDMN N#CCc1ccc(OCc2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nc2)cc1 ZINC001164707055 719898358 /nfs/dbraw/zinc/89/83/58/719898358.db2.gz MSQLYEABSAORRS-UHFFFAOYSA-N 0 1 474.630 4.660 20 30 JJEDMN N#Cc1ccc(-c2cc(C(F)(F)N3CCc4ncc(CN5CCCC5)n4CC3)cnc2Cl)cc1 ZINC001164739767 720596671 /nfs/dbraw/zinc/59/66/71/720596671.db2.gz HCKYKDMSIHSUBD-UHFFFAOYSA-N 0 1 482.966 4.674 20 30 JJEDMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@@H]3C2)cn1 ZINC001164759749 721247000 /nfs/dbraw/zinc/24/70/00/721247000.db2.gz BIZXIOOSIDNXGK-RTWAWAEBSA-N 0 1 482.966 4.510 20 30 JJEDMN N#Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164906618 721567719 /nfs/dbraw/zinc/56/77/19/721567719.db2.gz KIEOTSMSPMRTCP-TZIWHRDSSA-N 0 1 499.924 4.695 20 30 JJEDMN N#Cc1ccc(-c2cc(C(F)(F)N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164904709 721568102 /nfs/dbraw/zinc/56/81/02/721568102.db2.gz FJBGCJCCTHXSNU-PZJWPPBQSA-N 0 1 499.924 4.695 20 30 JJEDMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC001165030383 721844886 /nfs/dbraw/zinc/84/48/86/721844886.db2.gz KERUUTWHDCIOKM-UHFFFAOYSA-N 0 1 450.970 4.878 20 30 JJEDMN C#CCN(C(=O)c1ccc(CN2CCCCC2)o1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001435175960 1064569308 /nfs/dbraw/zinc/56/93/08/1064569308.db2.gz OXUCTNVTGBFTRP-HXUWFJFHSA-N 0 1 457.368 4.627 20 30 JJEDMN CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001359943731 1064689078 /nfs/dbraw/zinc/68/90/78/1064689078.db2.gz GUSFXNWPFJFBHS-UHFFFAOYSA-N 0 1 474.609 4.736 20 30 JJEDMN C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001360479051 1065396555 /nfs/dbraw/zinc/39/65/55/1065396555.db2.gz QDXNGQCOBCMQQU-KNQAVFIVSA-N 0 1 450.562 4.567 20 30 JJEDMN C=CCc1cc(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc(OC)c1OC ZINC001436631883 1065408202 /nfs/dbraw/zinc/40/82/02/1065408202.db2.gz PSIWERCADGBZJO-IZZNHLLZSA-N 0 1 474.576 4.969 20 30 JJEDMN N#Cc1ccc2nc(NC(=O)c3cccc(Sc4cccc(Br)c4)n3)[nH]c2c1 ZINC001438137129 1065677075 /nfs/dbraw/zinc/67/70/75/1065677075.db2.gz OGESOEXVJLSXCA-UHFFFAOYSA-N 0 1 450.321 4.996 20 30 JJEDMN C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001438210233 1065697026 /nfs/dbraw/zinc/69/70/26/1065697026.db2.gz VCFXBAHMJYEJIX-LLVKDONJSA-N 0 1 450.354 4.840 20 30 JJEDMN COc1ccccc1[C@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)N1CCCC1 ZINC001440371466 1065933676 /nfs/dbraw/zinc/93/36/76/1065933676.db2.gz NZFBVPYRTNJTPL-SANMLTNESA-N 0 1 455.558 4.713 20 30 JJEDMN COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)ccc2Cl)cc1 ZINC001440756985 1065976966 /nfs/dbraw/zinc/97/69/66/1065976966.db2.gz QWVMYYWHDRWBQQ-LEWJYISDSA-N 0 1 481.961 4.763 20 30 JJEDMN CCC1(N2CCOCC2)CCN(C(=O)c2cccc(Oc3ccc(Cl)cc3C#N)c2)CC1 ZINC001454476732 1066289235 /nfs/dbraw/zinc/28/92/35/1066289235.db2.gz GPBYWTGDULRNCH-UHFFFAOYSA-N 0 1 453.970 4.721 20 30 JJEDMN C#CCN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001444118573 1066408789 /nfs/dbraw/zinc/40/87/89/1066408789.db2.gz HTLMAPZTGJETKJ-HXUWFJFHSA-N 0 1 454.299 4.578 20 30 JJEDMN C#CCN(C(=O)c1cc(-c2ccc(F)cc2)[nH]n1)[C@H]1CCOc2ccc(Br)cc21 ZINC001444118566 1066408819 /nfs/dbraw/zinc/40/88/19/1066408819.db2.gz HTLMAPZTGJETKJ-FQEVSTJZSA-N 0 1 454.299 4.578 20 30 JJEDMN C=CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1)c1ccncc1 ZINC001444209138 1066428952 /nfs/dbraw/zinc/42/89/52/1066428952.db2.gz IRLKECHJBNMFBW-HXUWFJFHSA-N 0 1 459.930 4.722 20 30 JJEDMN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(OC(F)(F)C(F)(F)F)cc3)[nH]n2)c1C ZINC001445737825 1066613104 /nfs/dbraw/zinc/61/31/04/1066613104.db2.gz FSUBOZWQWDJNBH-UHFFFAOYSA-N 0 1 455.387 4.862 20 30 JJEDMN C=CCC[C@@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)c1ccccc1 ZINC001545981539 1066665968 /nfs/dbraw/zinc/66/59/68/1066665968.db2.gz VSJODIKDGGBVCE-GOSISDBHSA-N 0 1 458.299 4.570 20 30 JJEDMN O=C(CCOCC(F)(F)C(F)(F)F)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC001458080085 1066969612 /nfs/dbraw/zinc/96/96/12/1066969612.db2.gz JLFYIOMKAYTQEC-UHFFFAOYSA-N 0 1 455.252 4.760 20 30 JJEDMN N#Cc1cc(Cl)ccc1Sc1ccc(NC(=O)Cc2n[nH]c(C3CCOCC3)n2)cc1 ZINC001451658991 1067184687 /nfs/dbraw/zinc/18/46/87/1067184687.db2.gz QZBMEQLOJVBLDU-UHFFFAOYSA-N 0 1 453.955 4.556 20 30 JJEDMN C[C@H](C(=O)Nc1ccccc1-c1ccccc1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001459748408 1067405003 /nfs/dbraw/zinc/40/50/03/1067405003.db2.gz ONQYJQQGIVOHLN-HXUWFJFHSA-N 0 1 452.558 4.903 20 30 JJEDMN C[C@@H](N[C@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 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VHEWOQQIEZEVCA-UHFFFAOYSA-N 0 1 451.014 4.553 20 30 JJEDMN CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730948 720416357 /nfs/dbraw/zinc/41/63/57/720416357.db2.gz KALHUEUNRWDDRC-DNQXCXABSA-N 0 1 475.713 4.543 20 30 JJEDMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768951 721250891 /nfs/dbraw/zinc/25/08/91/721250891.db2.gz ZDPHQRXAIHEAOU-JKSUJKDBSA-N 0 1 491.373 4.650 20 30 JJEDMN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886628 721415501 /nfs/dbraw/zinc/41/55/01/721415501.db2.gz KIANHEYOZYEOFH-NEKDWFFYSA-N 0 1 487.673 4.600 20 30 JJEDMN N#Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)c1 ZINC001164906616 721567764 /nfs/dbraw/zinc/56/77/64/721567764.db2.gz KIEOTSMSPMRTCP-PZJWPPBQSA-N 0 1 499.924 4.695 20 30 JJEDMN N#Cc1ccc(-c2cccs2)nc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164909869 721726137 /nfs/dbraw/zinc/72/61/37/721726137.db2.gz DZPNXBWBSOYTFR-QHCPKHFHSA-N 0 1 451.546 4.814 20 30 JJEDMN C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@@H]2C)s1 ZINC001435567481 1064838641 /nfs/dbraw/zinc/83/86/41/1064838641.db2.gz UVFWTIKZAMRMJD-SJORKVTESA-N 0 1 450.073 4.960 20 30 JJEDMN CC(C)CN1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001360034484 1064839361 /nfs/dbraw/zinc/83/93/61/1064839361.db2.gz FWGJGRSXODSHGV-IBGZPJMESA-N 0 1 491.467 4.739 20 30 JJEDMN CN1CC[C@H](CNC(=O)c2ccc(Br)cc2C#N)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001435749422 1064972931 /nfs/dbraw/zinc/97/29/31/1064972931.db2.gz MXCRRXCOTIJTLJ-YJYMSZOUSA-N 0 1 450.739 4.536 20 30 JJEDMN Cc1cc(Br)cc2cc(C(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)oc21 ZINC001437241594 1065524533 /nfs/dbraw/zinc/52/45/33/1065524533.db2.gz GMIUEKOBSUUGAZ-UHFFFAOYSA-N 0 1 452.352 4.770 20 30 JJEDMN N#Cc1cccc(CN2CCC(NC(=O)CCc3cccc(OCc4ccccc4)c3)CC2)c1 ZINC001437242946 1065524900 /nfs/dbraw/zinc/52/49/00/1065524900.db2.gz JGOXQDFLXLUGSY-UHFFFAOYSA-N 0 1 453.586 4.851 20 30 JJEDMN N#Cc1ccccc1Sc1ccc(C(=O)Nc2n[nH]c3cnc(Br)cc23)cc1 ZINC001438513839 1065727832 /nfs/dbraw/zinc/72/78/32/1065727832.db2.gz KUSSKXXDWGZDGK-UHFFFAOYSA-N 0 1 450.321 4.996 20 30 JJEDMN CS(=O)(=O)Nc1cc2ccccc2cc1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001360756970 1065818154 /nfs/dbraw/zinc/81/81/54/1065818154.db2.gz HDFRBJBDQKQSBD-UHFFFAOYSA-N 0 1 458.499 4.523 20 30 JJEDMN N#Cc1ccc(CSc2nnc(NC(=O)c3cc(-c4cccc(Cl)c4)n[nH]3)s2)cc1 ZINC001442029752 1066086542 /nfs/dbraw/zinc/08/65/42/1066086542.db2.gz BMCOSUVNWHHVHC-UHFFFAOYSA-N 0 1 452.952 4.998 20 30 JJEDMN Cc1cc(-c2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](c2ccco2)N(C)C)c(C)n1-c1ccccc1 ZINC001361045247 1066269357 /nfs/dbraw/zinc/26/93/57/1066269357.db2.gz RBQUMJDEOLKIMB-CYFREDJKSA-N 0 1 471.609 4.987 20 30 JJEDMN COc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3cc(C#N)ccc3C)ccc2Cl)cc1 ZINC001457679060 1066895913 /nfs/dbraw/zinc/89/59/13/1066895913.db2.gz BYHIPEURCMKKHJ-UHFFFAOYSA-N 0 1 455.923 4.582 20 30 JJEDMN N#Cc1cc(NC(=O)c2cc(-c3ccc(OC(F)(F)F)cc3)n[nH]2)ccc1OC(F)(F)F 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[O-]c1cccc(Br)c1C[N@@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001462623592 1068114905 /nfs/dbraw/zinc/11/49/05/1068114905.db2.gz AGBAMOORVFSROP-DTORHVGOSA-N 0 1 454.155 4.758 20 30 JJEDMN [O-]c1cccc(Br)c1C[N@H+]1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001462623592 1068114911 /nfs/dbraw/zinc/11/49/11/1068114911.db2.gz AGBAMOORVFSROP-DTORHVGOSA-N 0 1 454.155 4.758 20 30 JJEDMN Oc1cccc(Br)c1CN1C[C@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001462623592 1068114917 /nfs/dbraw/zinc/11/49/17/1068114917.db2.gz AGBAMOORVFSROP-DTORHVGOSA-N 0 1 454.155 4.758 20 30 JJEDMN CCN(CC)[C@H](CNS(=O)(=O)c1ccc(CCC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC001462920043 1068214800 /nfs/dbraw/zinc/21/48/00/1068214800.db2.gz BNEJZIHOJHUKFM-OAQYLSRUSA-N 0 1 453.530 4.523 20 30 JJEDMN CCc1ccc([C@@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)N(CC)CC)cc1 ZINC001463790556 1068525346 /nfs/dbraw/zinc/52/53/46/1068525346.db2.gz DSPOVMPAYLUYKZ-OAQYLSRUSA-N 0 1 453.530 4.501 20 30 JJEDMN Cc1c(CN2CCSCC2)cccc1NC(=O)c1cccc(CNc2ncccc2C#N)c1 ZINC001464573724 1068787277 /nfs/dbraw/zinc/78/72/77/1068787277.db2.gz YVIAGEKNZOMXQG-UHFFFAOYSA-N 0 1 457.603 4.675 20 30 JJEDMN Cc1nc(CN2CCCC23CCN(c2ccc([C@@H](C#N)c4ccc(C)cc4)nn2)CC3)cs1 ZINC001164693315 719804608 /nfs/dbraw/zinc/80/46/08/719804608.db2.gz RXWJAKMQWSVAKH-QHCPKHFHSA-N 0 1 458.635 4.840 20 30 JJEDMN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695724 719886741 /nfs/dbraw/zinc/88/67/41/719886741.db2.gz SZHUIEHLOITQKO-UHFFFAOYSA-N 0 1 473.376 4.738 20 30 JJEDMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@@H]3C2)cn1 ZINC001164762718 721246993 /nfs/dbraw/zinc/24/69/93/721246993.db2.gz LHGAONUOXBDCNJ-RTWAWAEBSA-N 0 1 482.966 4.510 20 30 JJEDMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@H]3C2)cn1 ZINC001164768950 721250245 /nfs/dbraw/zinc/25/02/45/721250245.db2.gz ZDPHQRXAIHEAOU-HZPDHXFCSA-N 0 1 491.373 4.650 20 30 JJEDMN 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C=CCN1CCN(c2nc(-c3cccnc3)nc3scc(-c4ccc(OC)c(OC)c4)c32)CC1 ZINC001165031806 721870508 /nfs/dbraw/zinc/87/05/08/721870508.db2.gz AMRNVWSBXZDTBL-UHFFFAOYSA-N 0 1 473.602 4.746 20 30 JJEDMN CC(C)c1nnc(N2CCN(c3ccc(C#N)cc3Cl)CC2)n1C[C@@H](c1ccsc1)N(C)C ZINC001359716883 1064265737 /nfs/dbraw/zinc/26/57/37/1064265737.db2.gz YZYVBBRXRNFEJB-QFIPXVFZSA-N 0 1 484.073 4.618 20 30 JJEDMN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Cl)nc2)n1CCN1CCc2sccc2C1 ZINC001359926892 1064661002 /nfs/dbraw/zinc/66/10/02/1064661002.db2.gz GHAVRZGMBGRAEF-UHFFFAOYSA-N 0 1 484.073 4.879 20 30 JJEDMN CC(C)CN1CCO[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(CCC#N)CC2CC2)C1 ZINC001360035618 1064841107 /nfs/dbraw/zinc/84/11/07/1064841107.db2.gz OIWRUJUPEDEWGN-FQEVSTJZSA-N 0 1 491.467 4.739 20 30 JJEDMN CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001360409955 1065273876 /nfs/dbraw/zinc/27/38/76/1065273876.db2.gz ZABULWVQOLXUFU-FGZHOGPDSA-N 0 1 490.574 4.657 20 30 JJEDMN C[C@H](CC#N)N(C)c1nnc(-c2ccc(-c3ccc(F)cc3)s2)n1CCN1CCSCC1 ZINC001360470211 1065387491 /nfs/dbraw/zinc/38/74/91/1065387491.db2.gz NRHVCOVIESCIAH-QGZVFWFLSA-N 0 1 470.643 4.600 20 30 JJEDMN CC(C)(C)OC(=O)N[C@H](C(=O)Nc1nc2ccc(C#N)cc2[nH]1)c1ccc(C(F)(F)F)cc1 ZINC001438136336 1065676934 /nfs/dbraw/zinc/67/69/34/1065676934.db2.gz OTXPYZFTPVYHMS-KRWDZBQOSA-N 0 1 459.428 4.658 20 30 JJEDMN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC001545915691 1065721762 /nfs/dbraw/zinc/72/17/62/1065721762.db2.gz DDPRELKMWQODIM-UHFFFAOYSA-N 0 1 450.502 4.758 20 30 JJEDMN N#Cc1ccccc1NC(=O)CCCC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC001545915691 1065721772 /nfs/dbraw/zinc/72/17/72/1065721772.db2.gz DDPRELKMWQODIM-UHFFFAOYSA-N 0 1 450.502 4.758 20 30 JJEDMN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@@H](c1ccco1)N(C)C ZINC001360745913 1065787044 /nfs/dbraw/zinc/78/70/44/1065787044.db2.gz QHIGQLSKTNURIU-CTIGNXTNSA-N 0 1 466.561 4.583 20 30 JJEDMN C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCC(C)(F)F ZINC001360758466 1065825141 /nfs/dbraw/zinc/82/51/41/1065825141.db2.gz SKRZVXBCHMQVNH-CQSZACIVSA-N 0 1 488.926 4.652 20 30 JJEDMN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@H](c2cccs2)N(C)C)c1C ZINC001360866882 1065990229 /nfs/dbraw/zinc/99/02/29/1065990229.db2.gz ZEZYIMBNGQLNSM-DUXKGJEZSA-N 0 1 466.655 4.995 20 30 JJEDMN Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Oc4ncccc4C#N)cc3C)n2)cc1 ZINC001441191097 1066013873 /nfs/dbraw/zinc/01/38/73/1066013873.db2.gz IPVWPGVDYVKQFU-UHFFFAOYSA-N 0 1 456.531 4.878 20 30 JJEDMN CC(C)Oc1ccc(C#N)cc1NC(=O)CCCCCn1c(=O)c2ccccc2[nH]c1=S ZINC001442266170 1066110789 /nfs/dbraw/zinc/11/07/89/1066110789.db2.gz PCOCIFBWYNTXPD-UHFFFAOYSA-N 0 1 450.564 4.543 20 30 JJEDMN C=C(C)Cn1c(SCC(=O)N[C@H](C)c2nc3ccc(Cl)cc3[nH]2)nnc1-c1ccco1 ZINC001454212382 1066254957 /nfs/dbraw/zinc/25/49/57/1066254957.db2.gz BKYYHYKCRUBBKC-CYBMUJFWSA-N 0 1 456.959 4.613 20 30 JJEDMN N#Cc1ccccc1-c1ccccc1C(=O)NCCCN1CCN(c2cccc(Cl)c2)CC1 ZINC001443630517 1066340274 /nfs/dbraw/zinc/34/02/74/1066340274.db2.gz HWFOBNMMUZDJOF-UHFFFAOYSA-N 0 1 458.993 4.821 20 30 JJEDMN Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)s1 ZINC001361249825 1066594638 /nfs/dbraw/zinc/59/46/38/1066594638.db2.gz GWWZIIAUWPPXTK-OALUTQOASA-N 0 1 478.666 4.711 20 30 JJEDMN Cc1ccc(CN(C)c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)s1 ZINC001361249826 1066594690 /nfs/dbraw/zinc/59/46/90/1066594690.db2.gz GWWZIIAUWPPXTK-RTBURBONSA-N 0 1 478.666 4.711 20 30 JJEDMN Cc1ccc(CSc2n[nH]c(NC(=O)c3cccc(CNc4ncccc4C#N)c3)n2)cc1 ZINC001457165429 1066777385 /nfs/dbraw/zinc/77/73/85/1066777385.db2.gz JWYFGJWBNOWDJN-UHFFFAOYSA-N 0 1 455.547 4.537 20 30 JJEDMN C#CCN(C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@@H]1CCOc2ccc(Br)cc21 ZINC001459505739 1067340236 /nfs/dbraw/zinc/34/02/36/1067340236.db2.gz DHEAREMVIDGGME-MOPGFXCFSA-N 0 1 454.286 4.960 20 30 JJEDMN 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ZINC001164759750 721246976 /nfs/dbraw/zinc/24/69/76/721246976.db2.gz BIZXIOOSIDNXGK-SFTDATJTSA-N 0 1 482.966 4.510 20 30 JJEDMN N#Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)c1 ZINC001164906612 721567742 /nfs/dbraw/zinc/56/77/42/721567742.db2.gz KIEOTSMSPMRTCP-CTNGQTDRSA-N 0 1 499.924 4.695 20 30 JJEDMN N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904706 721585346 /nfs/dbraw/zinc/58/53/46/721585346.db2.gz FYHQURATIVPUIC-RUZDIDTESA-N 0 1 463.507 4.892 20 30 JJEDMN Cc1ccc([C@H](C#N)c2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164905672 721585548 /nfs/dbraw/zinc/58/55/48/721585548.db2.gz KKHFXOGLXIEJAM-JYFHCDHNSA-N 0 1 474.559 4.573 20 30 JJEDMN N#Cc1c(Cl)c2ccccc2nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907034 721723527 /nfs/dbraw/zinc/72/35/27/721723527.db2.gz PQVWHVYTDPCKLZ-HSZRJFAPSA-N 0 1 453.924 4.893 20 30 JJEDMN CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001359733466 1064291166 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MXCRRXCOTIJTLJ-DJJJIMSYSA-N 0 1 450.739 4.536 20 30 JJEDMN CC(C)N1CCN(c2nnc(-c3ccc(C#N)cc3)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC001360149714 1065052859 /nfs/dbraw/zinc/05/28/59/1065052859.db2.gz ZRMUFIPZTGNNEA-SFTDATJTSA-N 0 1 460.548 4.716 20 30 JJEDMN CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001360409956 1065273893 /nfs/dbraw/zinc/27/38/93/1065273893.db2.gz ZABULWVQOLXUFU-VXKWHMMOSA-N 0 1 490.574 4.657 20 30 JJEDMN C[C@@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@@H](c1ccco1)N1CCCCC1 ZINC001360479053 1065396778 /nfs/dbraw/zinc/39/67/78/1065396778.db2.gz QDXNGQCOBCMQQU-UGKGYDQZSA-N 0 1 450.562 4.567 20 30 JJEDMN N#Cc1cccc(CN2CCC(NC(=O)Cc3csc(-c4ccc(Cl)s4)n3)CC2)c1 ZINC001437247105 1065525017 /nfs/dbraw/zinc/52/50/17/1065525017.db2.gz WKWXXFBUYSRTHF-UHFFFAOYSA-N 0 1 457.024 4.720 20 30 JJEDMN C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1 ZINC001438210235 1065696976 /nfs/dbraw/zinc/69/69/76/1065696976.db2.gz VCFXBAHMJYEJIX-NSHDSACASA-N 0 1 450.354 4.840 20 30 JJEDMN C=CCn1nc(C)c(-c2cc(C(=O)Nc3ccc(F)c(NC(=O)OC(C)(C)C)c3)[nH]n2)c1C ZINC001441653901 1066058142 /nfs/dbraw/zinc/05/81/42/1066058142.db2.gz ZMYFDJVVKPZUGA-UHFFFAOYSA-N 0 1 454.506 4.814 20 30 JJEDMN C=CCCC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001454538738 1066297888 /nfs/dbraw/zinc/29/78/88/1066297888.db2.gz KULIJFWDXSUWDY-RBUKOAKNSA-N 0 1 457.537 4.674 20 30 JJEDMN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@H](c2ccsc2)N(C)C)c1 ZINC001361145417 1066428166 /nfs/dbraw/zinc/42/81/66/1066428166.db2.gz XJEDQBZPGJXGAQ-TZIWHRDSSA-N 0 1 452.628 4.577 20 30 JJEDMN C[C@@]1(C#N)CCCN(C(=O)c2cccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 ZINC001546084615 1066678373 /nfs/dbraw/zinc/67/83/73/1066678373.db2.gz OMHUAZUPLMZSCA-FQEVSTJZSA-N 0 1 452.363 4.560 20 30 JJEDMN N#Cc1ccc(O)c(NC(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001447047318 1066769072 /nfs/dbraw/zinc/76/90/72/1066769072.db2.gz FPBKOHRXBCMEFG-UHFFFAOYSA-N 0 1 455.514 4.911 20 30 JJEDMN C[C@H](C#N)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(Cl)cc2)c1)C1CC1 ZINC001457736820 1066907354 /nfs/dbraw/zinc/90/73/54/1066907354.db2.gz RBYZQPOIUBWVFF-CYBMUJFWSA-N 0 1 452.363 4.558 20 30 JJEDMN N#Cc1ccc(NCCCN2CCN(c3cccc(Cl)c3)CC2)c(F)c1Br ZINC001458169146 1066994707 /nfs/dbraw/zinc/99/47/07/1066994707.db2.gz QPQHLOJCRLMLMF-UHFFFAOYSA-N 0 1 451.771 4.737 20 30 JJEDMN COc1ccc2cc(CN(C)C(=O)[C@@H](C)N3CCC(Oc4ccc(C#N)cc4)CC3)ccc2c1 ZINC001460045923 1067538420 /nfs/dbraw/zinc/53/84/20/1067538420.db2.gz BEXIJVXXIYMCHU-HXUWFJFHSA-N 0 1 457.574 4.610 20 30 JJEDMN N#Cc1cccc(C2(NCC(=O)N[C@H](c3ccccc3)c3cccc(Cl)c3)CCOCC2)c1 ZINC001460453597 1067637476 /nfs/dbraw/zinc/63/74/76/1067637476.db2.gz GWMKVJLTKHVTQM-AREMUKBSSA-N 0 1 459.977 4.713 20 30 JJEDMN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001460776317 1067721681 /nfs/dbraw/zinc/72/16/81/1067721681.db2.gz VUMGTIFCWBRNDT-GUDVDZBRSA-N 0 1 460.644 4.502 20 30 JJEDMN CC(C)[C@H]1CC[C@H](C(=O)N[C@H](Cc2ccccc2)C(=O)Nc2nc3ccc(C#N)cc3[nH]2)CC1 ZINC001461918507 1067960949 /nfs/dbraw/zinc/96/09/49/1067960949.db2.gz AXLBKADVNBTURC-PQNGQFLHSA-N 0 1 457.578 4.563 20 30 JJEDMN C#CCOc1cccc(Cl)c1CN1CCC([C@@H]2C[C@H]2NC(=O)OCc2ccccc2)CC1 ZINC001462291541 1068044405 /nfs/dbraw/zinc/04/44/05/1068044405.db2.gz GVVZOMAIPOBGGH-XUZZJYLKSA-N 0 1 452.982 4.879 20 30 JJEDMN CCCOc1nc2ccccc2cc1/C=C\C(=O)N1CCCN(Cc2ccc(C#N)cc2)CC1 ZINC001463835973 1068541599 /nfs/dbraw/zinc/54/15/99/1068541599.db2.gz GZECLOBHLHPJRU-SEYXRHQNSA-N 0 1 454.574 4.643 20 30 JJEDMN CC(C)(C)c1ccc(-c2n[nH]c(NC(=O)c3cccc(CNc4ncccc4C#N)c3)n2)cc1 ZINC001464632228 1068804674 /nfs/dbraw/zinc/80/46/74/1068804674.db2.gz JRTXJBYWHKSOHD-UHFFFAOYSA-N 0 1 451.534 4.900 20 30 JJEDMN N#Cc1ccc(-c2cc(C(F)(F)N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164870850 721194734 /nfs/dbraw/zinc/19/47/34/721194734.db2.gz WQHNWEQMCMYNPS-GOTSBHOMSA-N 0 1 495.961 4.693 20 30 JJEDMN N#Cc1ccc(-c2cc(C(F)(F)N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164870849 721194810 /nfs/dbraw/zinc/19/48/10/721194810.db2.gz WQHNWEQMCMYNPS-DHIUTWEWSA-N 0 1 495.961 4.693 20 30 JJEDMN CCOC(=O)c1cc(C#N)c(Cl)nc1C(F)(F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014495 721767444 /nfs/dbraw/zinc/76/74/44/721767444.db2.gz GOBMOVLUFCIKFZ-UHFFFAOYSA-N 0 1 497.889 4.840 20 30 JJEDMN CC(C)[C@@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001359733467 1064291075 /nfs/dbraw/zinc/29/10/75/1064291075.db2.gz YYBAMFYXQSHCAG-ZJSXRUAMSA-N 0 1 478.666 4.966 20 30 JJEDMN CCCN1CCN(c2ccc(NC(=O)[C@@H](Oc3ccccc3C#N)C(C)C)cc2Cl)CC1 ZINC001434885445 1064317705 /nfs/dbraw/zinc/31/77/05/1064317705.db2.gz WFPWAOMASISFER-DEOSSOPVSA-N 0 1 455.002 4.786 20 30 JJEDMN CC(C)CN(c1nnc(-c2ccc(C#N)cc2)n1CC1(N2CCOCC2)CCCCC1)C(C)C ZINC001359985148 1064763921 /nfs/dbraw/zinc/76/39/21/1064763921.db2.gz HXYIALYSTJCLQU-UHFFFAOYSA-N 0 1 464.658 4.723 20 30 JJEDMN C=C(Cl)CSc1nc(C)c(CC(=O)N2C[C@@H](C)N(Cc3ccccc3)C[C@H]2C)s1 ZINC001435567479 1064838701 /nfs/dbraw/zinc/83/87/01/1064838701.db2.gz UVFWTIKZAMRMJD-IAGOWNOFSA-N 0 1 450.073 4.960 20 30 JJEDMN CC(C)OCCN1CCN(c2nnc(-c3ccc(C#N)cc3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001360409954 1065273754 /nfs/dbraw/zinc/27/37/54/1065273754.db2.gz ZABULWVQOLXUFU-FCHUYYIVSA-N 0 1 490.574 4.657 20 30 JJEDMN O=C(NC[C@@H]1CCCC1(F)F)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001436310120 1065293975 /nfs/dbraw/zinc/29/39/75/1065293975.db2.gz SZUVAVDHJJYORY-VIFPVBQESA-N 0 1 452.164 4.991 20 30 JJEDMN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)c1ccn(-c2cccc(C#N)c2)n1 ZINC001436428940 1065317147 /nfs/dbraw/zinc/31/71/47/1065317147.db2.gz BTBMSVMKQUZGKX-AREMUKBSSA-N 0 1 455.606 4.549 20 30 JJEDMN C[C@H](Oc1ccccc1Cc1ccccc1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC001437245107 1065524874 /nfs/dbraw/zinc/52/48/74/1065524874.db2.gz PSNLUZFCSZTXFE-QFIPXVFZSA-N 0 1 453.586 4.697 20 30 JJEDMN C[C@H](CCc1ccc(I)cc1)CC(=O)Nc1nc2ccc(C#N)cc2[nH]1 ZINC001438136491 1065677150 /nfs/dbraw/zinc/67/71/50/1065677150.db2.gz PMSAKIRREHCWNJ-CYBMUJFWSA-N 0 1 458.303 4.637 20 30 JJEDMN C[C@H]1CN(Cc2ccc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@H](C)O1 ZINC001441330216 1066029500 /nfs/dbraw/zinc/02/95/00/1066029500.db2.gz ZKNMBXSFHGRWRU-SFTDATJTSA-N 0 1 455.558 4.890 20 30 JJEDMN N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(I)c2O)cc1 ZINC001442235457 1066105877 /nfs/dbraw/zinc/10/58/77/1066105877.db2.gz PIYVKHWKINVMCA-UHFFFAOYSA-N 0 1 456.239 4.913 20 30 JJEDMN C=C(C)Cn1c(SCC(=O)N[C@@H](C)c2nc3ccc(Cl)cc3[nH]2)nnc1-c1ccco1 ZINC001454212384 1066254927 /nfs/dbraw/zinc/25/49/27/1066254927.db2.gz BKYYHYKCRUBBKC-ZDUSSCGKSA-N 0 1 456.959 4.613 20 30 JJEDMN Cc1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H](C)CC#N)cc(N2CCCC2)n1 ZINC001361084445 1066322833 /nfs/dbraw/zinc/32/28/33/1066322833.db2.gz SBXSRRCKFGSQNR-QFIPXVFZSA-N 0 1 473.625 4.564 20 30 JJEDMN O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2[nH]cnc2C1 ZINC001546069530 1066367263 /nfs/dbraw/zinc/36/72/63/1066367263.db2.gz ORDPJUPHWIJSLF-CLAHSXSESA-N 0 1 459.312 4.972 20 30 JJEDMN C#CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccccc3C)c2)c1 ZINC001443941184 1066387150 /nfs/dbraw/zinc/38/71/50/1066387150.db2.gz GDHWLTXGRAIRTI-UHFFFAOYSA-N 0 1 454.935 4.714 20 30 JJEDMN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@@H](c2ccsc2)N(C)C)c1 ZINC001361145415 1066427990 /nfs/dbraw/zinc/42/79/90/1066427990.db2.gz XJEDQBZPGJXGAQ-FPOVZHCZSA-N 0 1 452.628 4.577 20 30 JJEDMN CC[C@@H](c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1)c1ccccc1 ZINC001545736937 1067001299 /nfs/dbraw/zinc/00/12/99/1067001299.db2.gz XPEKLKFOOBOUDC-CQOQZXRMSA-N 0 1 478.685 4.838 20 30 JJEDMN C#Cc1ccc(CNC(=O)c2ccc(NS(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 ZINC001449803917 1067030327 /nfs/dbraw/zinc/03/03/27/1067030327.db2.gz WPPQARSSEQBITI-UHFFFAOYSA-N 0 1 459.354 4.706 20 30 JJEDMN CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCCC1)N1CCOCC1 ZINC001545807874 1067129445 /nfs/dbraw/zinc/12/94/45/1067129445.db2.gz PBVDWHDSHNHCII-VWLOTQADSA-N 0 1 464.658 4.580 20 30 JJEDMN CC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894772 1067477266 /nfs/dbraw/zinc/47/72/66/1067477266.db2.gz XTGDHWAOPZMGPG-QZNHQXDQSA-N 0 1 456.631 4.564 20 30 JJEDMN Cc1cc(C)c(NC(=O)CNC(=O)CN[C@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1 ZINC001459937493 1067499130 /nfs/dbraw/zinc/49/91/30/1067499130.db2.gz XEPZXKYPDQGRRK-OAQYLSRUSA-N 0 1 454.574 4.556 20 30 JJEDMN CC(C)(C)OC(=O)N1CCC[C@H]([C@@H]2CCCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211593 1067580492 /nfs/dbraw/zinc/58/04/92/1067580492.db2.gz GWSVEIGHUVTDQE-SFTDATJTSA-N 0 1 451.571 4.610 20 30 JJEDMN C=CCOc1c(Cl)cc(CNCc2cc(Br)c3c(c2)OCCO3)cc1OC ZINC001461153335 1067790249 /nfs/dbraw/zinc/79/02/49/1067790249.db2.gz BHVYZWIITOYYSF-UHFFFAOYSA-N 0 1 454.748 4.737 20 30 JJEDMN N#Cc1ccc2nc(NC(=O)CCc3cc(Br)c(Br)s3)[nH]c2c1 ZINC001461919345 1067961035 /nfs/dbraw/zinc/96/10/35/1067961035.db2.gz HVMZIXKOIHWBGJ-UHFFFAOYSA-N 0 1 454.147 4.592 20 30 JJEDMN CCN(CC)[C@@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC001462925534 1068216736 /nfs/dbraw/zinc/21/67/36/1068216736.db2.gz NRIAQYBGPWJWNI-SFHVURJKSA-N 0 1 459.921 4.592 20 30 JJEDMN C=CCn1nc(C)c(-c2cc(C(=O)Nc3cc(F)ccc3NC(=O)OC(C)(C)C)[nH]n2)c1C ZINC001464314185 1068701580 /nfs/dbraw/zinc/70/15/80/1068701580.db2.gz SYLPMUNOJDYOMM-UHFFFAOYSA-N 0 1 454.506 4.814 20 30 JJEDMN CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730950 720417275 /nfs/dbraw/zinc/41/72/75/720417275.db2.gz KALHUEUNRWDDRC-ZEQRLZLVSA-N 0 1 475.713 4.543 20 30 JJEDMN N#Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164870592 721195757 /nfs/dbraw/zinc/19/57/57/721195757.db2.gz VUOCAAQZZCMMJO-XZOQPEGZSA-N 0 1 495.961 4.693 20 30 JJEDMN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886631 721415559 /nfs/dbraw/zinc/41/55/59/721415559.db2.gz KIANHEYOZYEOFH-QDPGVEIFSA-N 0 1 487.673 4.600 20 30 JJEDMN N#Cc1ccc(-c2cc(C(F)(F)N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164904711 721567853 /nfs/dbraw/zinc/56/78/53/721567853.db2.gz FJBGCJCCTHXSNU-TZIWHRDSSA-N 0 1 499.924 4.695 20 30 JJEDMN N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001164912924 721735226 /nfs/dbraw/zinc/73/52/26/721735226.db2.gz RGLNBIMMYYWCPS-DEOSSOPVSA-N 0 1 496.949 4.927 20 30 JJEDMN N#Cc1cccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164911202 721735412 /nfs/dbraw/zinc/73/54/12/721735412.db2.gz IQPBETIVMNCPRT-DEOSSOPVSA-N 0 1 496.949 4.927 20 30 JJEDMN CC1(C)CCCc2cc(C#N)c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc21 ZINC001164912636 721737349 /nfs/dbraw/zinc/73/73/49/721737349.db2.gz OZPORAQMXWCNPV-VWLOTQADSA-N 0 1 451.565 4.700 20 30 JJEDMN CN(C)C(=O)CN1CCC2(CCCN2c2nc(-c3ccccc3)c(-c3ccccc3)cc2C#N)CC1 ZINC001165012901 721749612 /nfs/dbraw/zinc/74/96/12/721749612.db2.gz RCMFWGYEINMSQS-UHFFFAOYSA-N 0 1 479.628 4.810 20 30 JJEDMN COc1cccc(OC)c1CN1CCC(N(C)c2cnc(Cl)nc2Oc2ccccc2C#N)CC1 ZINC001165030249 721845250 /nfs/dbraw/zinc/84/52/50/721845250.db2.gz FZNGSAUCZJDCLJ-UHFFFAOYSA-N 0 1 493.995 4.912 20 30 JJEDMN CC(C)Cc1nnc(N2CC=C(c3ccc(C#N)cc3)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001359795991 1064455447 /nfs/dbraw/zinc/45/54/47/1064455447.db2.gz RPMFHNJKJOJNLG-SZPZYZBQSA-N 0 1 476.669 4.530 20 30 JJEDMN CC(C)CCN(CCC#N)c1nnc(-c2ccccc2)n1CC1(N2CCOCC2)CCCCC1 ZINC001359927061 1064662437 /nfs/dbraw/zinc/66/24/37/1064662437.db2.gz MGUPYKCAWSAUAN-UHFFFAOYSA-N 0 1 464.658 4.746 20 30 JJEDMN N#CCCCS(=O)(=O)c1ccc(C(=O)Nc2ccc3nc(C4CCCCC4)[nH]c3c2)cc1 ZINC001435383905 1064732998 /nfs/dbraw/zinc/73/29/98/1064732998.db2.gz QIVLTPOYUNMQEG-UHFFFAOYSA-N 0 1 450.564 4.940 20 30 JJEDMN CC(C)CN1CCO[C@H](Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2cccs2)C(C)C)C1 ZINC001360036158 1064844419 /nfs/dbraw/zinc/84/44/19/1064844419.db2.gz UPPIXQDPNCJPEG-QHCPKHFHSA-N 0 1 478.666 4.650 20 30 JJEDMN O=C(NC[C@H]1CCCC1(F)F)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001436310119 1065294018 /nfs/dbraw/zinc/29/40/18/1065294018.db2.gz SZUVAVDHJJYORY-SECBINFHSA-N 0 1 452.164 4.991 20 30 JJEDMN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@H](c1ccco1)N1CCCC1 ZINC001360469366 1065384696 /nfs/dbraw/zinc/38/46/96/1065384696.db2.gz BIMOGYYRMCPGGN-JKSUJKDBSA-N 0 1 489.443 4.938 20 30 JJEDMN N#Cc1cccc(CN2CCC(NC(=O)c3cc(Cl)cc(Br)c3F)CC2)c1 ZINC001437241865 1065524402 /nfs/dbraw/zinc/52/44/02/1065524402.db2.gz HVMGXUBFRWRMDA-UHFFFAOYSA-N 0 1 450.739 4.508 20 30 JJEDMN C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCc3[nH]c(=O)c(C#N)cc3C2)n1CCC(C)(F)F ZINC001360758465 1065825067 /nfs/dbraw/zinc/82/50/67/1065825067.db2.gz SKRZVXBCHMQVNH-AWEZNQCLSA-N 0 1 488.926 4.652 20 30 JJEDMN Cc1cccc(O[C@H](C)c2nnc(N(C)C[C@H](C)C#N)n2C[C@@H](c2cccs2)N(C)C)c1C ZINC001360866884 1065990389 /nfs/dbraw/zinc/99/03/89/1065990389.db2.gz ZEZYIMBNGQLNSM-UIFIKXQLSA-N 0 1 466.655 4.995 20 30 JJEDMN C=CCn1nc(C)c(-c2cc(C(=O)N(Cc3ccc(Br)cc3)C(C)C)n[nH]2)c1C ZINC001442185527 1066100059 /nfs/dbraw/zinc/10/00/59/1066100059.db2.gz DNSVBHVLZVDCIE-UHFFFAOYSA-N 0 1 456.388 4.889 20 30 JJEDMN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001454538734 1066297372 /nfs/dbraw/zinc/29/73/72/1066297372.db2.gz KULIJFWDXSUWDY-MOPGFXCFSA-N 0 1 457.537 4.674 20 30 JJEDMN O=C(N[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@H]1CCc2[nH]cnc2C1 ZINC001546069532 1066367569 /nfs/dbraw/zinc/36/75/69/1066367569.db2.gz ORDPJUPHWIJSLF-RTHLEPHNSA-N 0 1 459.312 4.972 20 30 JJEDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ccc(C#N)c(Br)c1F ZINC001458381508 1067046912 /nfs/dbraw/zinc/04/69/12/1067046912.db2.gz AOLUTOUGMIOHCL-KRWDZBQOSA-N 0 1 457.347 4.995 20 30 JJEDMN CCc1[nH]n(Cc2ccccc2C)c(=O)c1CCNc1ccc(C#N)c(Br)c1F ZINC001458381513 1067047084 /nfs/dbraw/zinc/04/70/84/1067047084.db2.gz AOLUTOUGMIOHCL-QGZVFWFLSA-N 0 1 457.347 4.995 20 30 JJEDMN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@@H](C)C#N)N1CCOCC1 ZINC001545807589 1067127059 /nfs/dbraw/zinc/12/70/59/1067127059.db2.gz KXRYVTKHQKQUTG-HTAPYJJXSA-N 0 1 493.483 4.985 20 30 JJEDMN CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@@H]1CCC[C@@H](C)C1)N1CCOCC1 ZINC001545807956 1067130259 /nfs/dbraw/zinc/13/02/59/1067130259.db2.gz QAKWFNCHRBHIOI-QGDZQMKYSA-N 0 1 478.685 4.969 20 30 JJEDMN CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCOCC1 ZINC001545808034 1067131028 /nfs/dbraw/zinc/13/10/28/1067131028.db2.gz RAYFPOXRRDFFTH-RPBOFIJWSA-N 0 1 478.685 4.826 20 30 JJEDMN CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@H](C(C)(C)C)C1)N1CCOCC1 ZINC001545808033 1067131095 /nfs/dbraw/zinc/13/10/95/1067131095.db2.gz RAYFPOXRRDFFTH-LOSJGSFVSA-N 0 1 478.685 4.826 20 30 JJEDMN CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C1 ZINC001546104734 1067197246 /nfs/dbraw/zinc/19/72/46/1067197246.db2.gz HRFMLAAVBWKVLQ-SFTDATJTSA-N 0 1 464.658 4.721 20 30 JJEDMN N#Cc1cccc(NC(=O)CCN2CCc3c(cccc3NC(=O)Nc3ccccc3F)C2)c1 ZINC001459501861 1067339653 /nfs/dbraw/zinc/33/96/53/1067339653.db2.gz JPKSKOICHSOQJF-UHFFFAOYSA-N 0 1 457.509 4.728 20 30 JJEDMN COc1ccc([C@@H](C)NCC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccc(F)cc2)cc1F ZINC001459842114 1067449086 /nfs/dbraw/zinc/44/90/86/1067449086.db2.gz ZPWZDSHCSGCFRJ-MRXNPFEDSA-N 0 1 452.505 4.601 20 30 JJEDMN C[C@@H](N[C@@H](C)c1ccc(N2CCCC2=O)cc1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001459867683 1067464700 /nfs/dbraw/zinc/46/47/00/1067464700.db2.gz KTADHUKHKWAMJJ-DLBZAZTESA-N 0 1 450.608 4.693 20 30 JJEDMN CC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459894775 1067477316 /nfs/dbraw/zinc/47/73/16/1067477316.db2.gz XTGDHWAOPZMGPG-XPNTWCBSSA-N 0 1 456.631 4.564 20 30 JJEDMN CN(C)c1ncc(CN2C[C@@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc21 ZINC001460874877 1067739946 /nfs/dbraw/zinc/73/99/46/1067739946.db2.gz IOFLVTIOPLNHHA-HUUCEWRRSA-N 0 1 453.377 4.904 20 30 JJEDMN N#Cc1cccc(CN2CCC(NC(=O)c3ccc(Br)c(Cl)c3F)CC2)c1 ZINC001461242589 1067808059 /nfs/dbraw/zinc/80/80/59/1067808059.db2.gz DSIKOJCPHZSPTN-UHFFFAOYSA-N 0 1 450.739 4.508 20 30 JJEDMN N#Cc1cccc(CN2CCC(NC(=O)c3ccc(C(F)(F)F)cc3N3CCCC3)CC2)c1 ZINC001461246774 1067808957 /nfs/dbraw/zinc/80/89/57/1067808957.db2.gz VGZLYXIZNWCCDK-UHFFFAOYSA-N 0 1 456.512 4.572 20 30 JJEDMN [O-]c1cccc(Br)c1C[NH+]1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001462623594 1068115482 /nfs/dbraw/zinc/11/54/82/1068115482.db2.gz AGBAMOORVFSROP-RKDXNWHRSA-N 0 1 454.155 4.758 20 30 JJEDMN Oc1cccc(Br)c1CN1C[C@@H]2[C@@H](C1)C(F)(F)C(F)(F)C(F)(F)C2(F)F ZINC001462623594 1068115487 /nfs/dbraw/zinc/11/54/87/1068115487.db2.gz AGBAMOORVFSROP-RKDXNWHRSA-N 0 1 454.155 4.758 20 30 JJEDMN CCc1ccc([C@H](CNS(=O)(=O)c2ccc(C(F)(F)F)c(C#N)c2)N(CC)CC)cc1 ZINC001463790551 1068525216 /nfs/dbraw/zinc/52/52/16/1068525216.db2.gz DSPOVMPAYLUYKZ-NRFANRHFSA-N 0 1 453.530 4.501 20 30 JJEDMN N#Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164870585 721195997 /nfs/dbraw/zinc/19/59/97/721195997.db2.gz VUOCAAQZZCMMJO-GOTSBHOMSA-N 0 1 495.961 4.693 20 30 JJEDMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@H]3C2)cn1 ZINC001164762706 721246729 /nfs/dbraw/zinc/24/67/29/721246729.db2.gz LHGAONUOXBDCNJ-NHCUHLMSSA-N 0 1 482.966 4.510 20 30 JJEDMN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886624 721415149 /nfs/dbraw/zinc/41/51/49/721415149.db2.gz KIANHEYOZYEOFH-LXFBAYGMSA-N 0 1 487.673 4.600 20 30 JJEDMN COc1cccc(OC)c1CN1CCC(N(C)c2ccc([C@H](C#N)c3ccc(C)cc3)nn2)CC1 ZINC001165019258 721838668 /nfs/dbraw/zinc/83/86/68/721838668.db2.gz BQRONASJXAXDEC-HSZRJFAPSA-N 0 1 471.605 4.559 20 30 JJEDMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(F)c(C#N)cc2-c2ccnc(Cl)n2)CC1 ZINC001165021187 721841324 /nfs/dbraw/zinc/84/13/24/721841324.db2.gz GVBFWNJQXKEOTI-UHFFFAOYSA-N 0 1 495.986 4.926 20 30 JJEDMN Cc1ccc(CN2CCOC3(CCN(c4ccc([C@H](C#N)c5ccc(C)cc5)nn4)CC3)C2)cc1 ZINC001164938818 721920901 /nfs/dbraw/zinc/92/09/01/721920901.db2.gz RVLIJSPOKUCMJO-AREMUKBSSA-N 0 1 467.617 4.620 20 30 JJEDMN Cc1ccc(CN2CCOC3(CCN(c4cnc(Cl)nc4Oc4ccc(C#N)cc4)CC3)C2)cc1 ZINC001164946594 721933155 /nfs/dbraw/zinc/93/31/55/721933155.db2.gz ZRZTUKKQKICZLR-UHFFFAOYSA-N 0 1 490.007 4.974 20 30 JJEDMN COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1S(=O)(=O)Nc1ccc(Cl)cc1 ZINC001440599214 1065953875 /nfs/dbraw/zinc/95/38/75/1065953875.db2.gz YZBPKDRPBDHYFP-LEWJYISDSA-N 0 1 481.961 4.763 20 30 JJEDMN CN(C)C[C@@H](NC(=O)c1ccc(Oc2ccc(C#N)cn2)cc1)c1cccc(C(F)(F)F)c1 ZINC001454537202 1066297308 /nfs/dbraw/zinc/29/73/08/1066297308.db2.gz GJXUJYLADRDOFU-OAQYLSRUSA-N 0 1 454.452 4.797 20 30 JJEDMN CCCCn1nc(C)c(-c2cc(C(=O)Nc3ncc(Cc4ccc(C#N)cc4)s3)[nH]n2)c1C ZINC001457502457 1066844839 /nfs/dbraw/zinc/84/48/39/1066844839.db2.gz IRQNLQKUPUXFTE-UHFFFAOYSA-N 0 1 459.579 4.861 20 30 JJEDMN C#CC[C@@H]1CCCN(C(=O)c2ccc(Cl)c(S(=O)(=O)Nc3ccc(Cl)cc3)c2)C1 ZINC001457874803 1066934446 /nfs/dbraw/zinc/93/44/46/1066934446.db2.gz DHSBZCPTKGHPEN-OAHLLOKOSA-N 0 1 451.375 4.670 20 30 JJEDMN C#CC1CCN(C(=O)c2cc(S(=O)(=O)Nc3cccc(C)c3)c(Cl)cc2Cl)CC1 ZINC001457876863 1066934637 /nfs/dbraw/zinc/93/46/37/1066934637.db2.gz IMLQKPHRAVRXCP-UHFFFAOYSA-N 0 1 451.375 4.588 20 30 JJEDMN N#C[C@H](CCc1ccccc1)C(=O)N(Cc1ccncc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001450139043 1067052924 /nfs/dbraw/zinc/05/29/24/1067052924.db2.gz HXJUKRJJMHQNNO-NSOVKSMOSA-N 0 1 452.602 4.847 20 30 JJEDMN CCC(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2Cl)nnc1N(C)C[C@H](C)C#N)N1CCOCC1 ZINC001545807591 1067126969 /nfs/dbraw/zinc/12/69/69/1067126969.db2.gz KXRYVTKHQKQUTG-VGOFRKELSA-N 0 1 493.483 4.985 20 30 JJEDMN CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[C@@H](C)C1)N1CCOCC1 ZINC001545807955 1067130304 /nfs/dbraw/zinc/13/03/04/1067130304.db2.gz QAKWFNCHRBHIOI-NYMACZPPSA-N 0 1 478.685 4.969 20 30 JJEDMN Cc1cccc(C(=O)Nc2ccccc2C(=O)NC2CCN(Cc3cccc(C#N)c3)CC2)c1 ZINC001452690163 1067244452 /nfs/dbraw/zinc/24/44/52/1067244452.db2.gz BTCGBLGNUCKNKA-UHFFFAOYSA-N 0 1 452.558 4.513 20 30 JJEDMN COc1ccccc1/C=C(\C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC001452695566 1067245610 /nfs/dbraw/zinc/24/56/10/1067245610.db2.gz YVHMTRGMXPCQQG-DIBXZPPDSA-N 0 1 451.570 4.888 20 30 JJEDMN C=CCCC1(CNC(=O)c2ccc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCCC1 ZINC001453344911 1067299649 /nfs/dbraw/zinc/29/96/49/1067299649.db2.gz INJVEWQSGBLSKF-UHFFFAOYSA-N 0 1 457.552 4.652 20 30 JJEDMN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001459524500 1067344612 /nfs/dbraw/zinc/34/46/12/1067344612.db2.gz GEAPNKWONLOZNV-KRWDZBQOSA-N 0 1 458.375 4.887 20 30 JJEDMN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N(C)CC1(c2ccc(Br)cc2)CC1 ZINC001459524503 1067344762 /nfs/dbraw/zinc/34/47/62/1067344762.db2.gz GEAPNKWONLOZNV-QGZVFWFLSA-N 0 1 458.375 4.887 20 30 JJEDMN COc1cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)ccc1OCc1cccc(C#N)c1 ZINC001459713151 1067392402 /nfs/dbraw/zinc/39/24/02/1067392402.db2.gz AJOBOOVOVHFEQP-UHFFFAOYSA-N 0 1 451.567 4.635 20 30 JJEDMN C[C@@H](NC(=O)[C@H](C)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC001459747957 1067404986 /nfs/dbraw/zinc/40/49/86/1067404986.db2.gz LGPGWRHPAMLUIN-UXHICEINSA-N 0 1 454.574 4.628 20 30 JJEDMN CCO[C@H]1C[C@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748481 1067405044 /nfs/dbraw/zinc/40/50/44/1067405044.db2.gz LNBWSLIBCKIDQD-ZEQRLZLVSA-N 0 1 450.627 4.879 20 30 JJEDMN C[C@H](NC(=O)[C@H](C)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1)c1ccc2ccccc2c1 ZINC001459747956 1067405054 /nfs/dbraw/zinc/40/50/54/1067405054.db2.gz LGPGWRHPAMLUIN-PMACEKPBSA-N 0 1 454.574 4.628 20 30 JJEDMN CCC(C)(C)[C@H]1CCc2c(C#N)c(NC(=O)CN[C@]3(CO)CCc4ccccc43)sc2C1 ZINC001459784986 1067421596 /nfs/dbraw/zinc/42/15/96/1067421596.db2.gz HIBQBWFKEGIAIU-QYBDOPJKSA-N 0 1 451.636 4.523 20 30 JJEDMN C[C@@H](N[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCCCC2)c1ccc(N2CCCC2=O)cc1 ZINC001459867694 1067464767 /nfs/dbraw/zinc/46/47/67/1067464767.db2.gz KTADHUKHKWAMJJ-SJORKVTESA-N 0 1 450.608 4.693 20 30 JJEDMN C[C@H](C#N)CSc1ccccc1NC(=O)CN[C@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC001460157518 1067566877 /nfs/dbraw/zinc/56/68/77/1067566877.db2.gz MJTLOPMWESZESR-QZTJIDSGSA-N 0 1 452.580 4.574 20 30 JJEDMN N#Cc1cccc(C2(NCC(=O)N[C@@H](c3ccccc3)c3cccc(Cl)c3)CCOCC2)c1 ZINC001460453603 1067637595 /nfs/dbraw/zinc/63/75/95/1067637595.db2.gz GWMKVJLTKHVTQM-SANMLTNESA-N 0 1 459.977 4.713 20 30 JJEDMN Cc1c(Cl)cccc1N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@H](C)C3)CC1 ZINC001460915034 1067747384 /nfs/dbraw/zinc/74/73/84/1067747384.db2.gz OIUIHXKIFOJGJV-INIZCTEOSA-N 0 1 457.043 4.857 20 30 JJEDMN C[C@@H](Sc1ccc(Br)cc1)C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1 ZINC001461245039 1067808477 /nfs/dbraw/zinc/80/84/77/1067808477.db2.gz LTMDOOHIKRHEDV-MRXNPFEDSA-N 0 1 458.425 4.582 20 30 JJEDMN CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2O)cc1 ZINC001461739542 1067928503 /nfs/dbraw/zinc/92/85/03/1067928503.db2.gz XZIIWDUUDNYMEE-LYBHJNIJSA-N 0 1 456.395 4.904 20 30 JJEDMN C[C@@](CO)(NCc1cccc(OCc2ccccc2C#N)c1)c1cccc(Br)c1 ZINC001461822125 1067942064 /nfs/dbraw/zinc/94/20/64/1067942064.db2.gz YEIKRNSVEQBLIZ-DEOSSOPVSA-N 0 1 451.364 4.897 20 30 JJEDMN CN(C)C[C@H](NC(=O)Cc1ccc(Br)cc1C#N)c1ccc(Cl)c(Cl)c1 ZINC001462039438 1067986627 /nfs/dbraw/zinc/98/66/27/1067986627.db2.gz CCQBMNUJSVXLEV-SFHVURJKSA-N 0 1 455.183 4.589 20 30 JJEDMN C[C@@H](NC1CCN(c2ccc(C#N)cc2)CC1)c1nc(-c2ccc(Br)cc2)no1 ZINC001462181802 1068023774 /nfs/dbraw/zinc/02/37/74/1068023774.db2.gz BMZXDMALCKRMIW-OAHLLOKOSA-N 0 1 452.356 4.690 20 30 JJEDMN N#Cc1cc(F)c(S(=O)(=O)N[C@@H](CC2CC2)c2cc(F)cc(Br)c2)c(F)c1 ZINC001463559445 1068442501 /nfs/dbraw/zinc/44/25/01/1068442501.db2.gz KKFGCEVWDUIEMR-KRWDZBQOSA-N 0 1 459.287 4.558 20 30 JJEDMN C[C@@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC001464375376 1068723487 /nfs/dbraw/zinc/72/34/87/1068723487.db2.gz MUFXVZTXXXBZCJ-CQSZACIVSA-N 0 1 459.893 4.637 20 30 JJEDMN CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164730949 720417330 /nfs/dbraw/zinc/41/73/30/720417330.db2.gz KALHUEUNRWDDRC-RPWUZVMVSA-N 0 1 475.713 4.543 20 30 JJEDMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3cccc(C#N)c3)nnc1Cl)[C@@H]2C ZINC001164861802 721023581 /nfs/dbraw/zinc/02/35/81/721023581.db2.gz PJOFXZKAVJIAQC-MRXNPFEDSA-N 0 1 485.970 4.831 20 30 JJEDMN N#Cc1ccc(-c2cc(C(F)(F)N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)cc1 ZINC001164870852 721196174 /nfs/dbraw/zinc/19/61/74/721196174.db2.gz WQHNWEQMCMYNPS-XZOQPEGZSA-N 0 1 495.961 4.693 20 30 JJEDMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(C#N)cc5)c4)C[C@H]3C2)cn1 ZINC001164759748 721247417 /nfs/dbraw/zinc/24/74/17/721247417.db2.gz BIZXIOOSIDNXGK-NHCUHLMSSA-N 0 1 482.966 4.510 20 30 JJEDMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@@H]3C2)cn1 ZINC001164762731 721247805 /nfs/dbraw/zinc/24/78/05/721247805.db2.gz LHGAONUOXBDCNJ-SFTDATJTSA-N 0 1 482.966 4.510 20 30 JJEDMN N#Cc1ccc(-c2ccc(F)cc2)nc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904728 721585732 /nfs/dbraw/zinc/58/57/32/721585732.db2.gz FYHQURATIVPUIC-VWLOTQADSA-N 0 1 463.507 4.892 20 30 JJEDMN N#Cc1c(Cl)nc2cccc(Cl)c2c1N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164966328 722062781 /nfs/dbraw/zinc/06/27/81/722062781.db2.gz QZIKUJLIGXEHAC-UHFFFAOYSA-N 0 1 482.415 4.927 20 30 JJEDMN CC(C)[C@H]1CCCN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001359733465 1064291258 /nfs/dbraw/zinc/29/12/58/1064291258.db2.gz YYBAMFYXQSHCAG-URXFXBBRSA-N 0 1 478.666 4.966 20 30 JJEDMN O=C(Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1)[C@H](O)c1ccccc1C(F)(F)F ZINC001545884066 1064300633 /nfs/dbraw/zinc/30/06/33/1064300633.db2.gz IQTCMVOHIIRILB-CYBMUJFWSA-N 0 1 453.289 4.908 20 30 JJEDMN C=CC[C@@]1(C(=O)Nc2cccc(CN3CCSCC3)c2C)CCCN1C(=O)OC(C)(C)C ZINC001434917484 1064345047 /nfs/dbraw/zinc/34/50/47/1064345047.db2.gz KURCRLXRSWQKFK-VWLOTQADSA-N 0 1 459.656 4.828 20 30 JJEDMN CC(C)CN1CCO[C@@H](Cn2c(-c3cccc(C#N)c3)nnc2N(Cc2cccs2)C(C)C)C1 ZINC001360036157 1064844760 /nfs/dbraw/zinc/84/47/60/1064844760.db2.gz UPPIXQDPNCJPEG-HSZRJFAPSA-N 0 1 478.666 4.650 20 30 JJEDMN N#Cc1cc(Br)ccc1CC(=O)Nc1ccc(-c2n[nH]c(-c3ccccc3)n2)cc1 ZINC001435606831 1064870149 /nfs/dbraw/zinc/87/01/49/1064870149.db2.gz UHWZDTWWRNMXML-UHFFFAOYSA-N 0 1 458.319 4.954 20 30 JJEDMN N#Cc1cc(Br)ccc1CC(=O)Nc1ccc(-c2nc(-c3ccccc3)n[nH]2)cc1 ZINC001435606831 1064870163 /nfs/dbraw/zinc/87/01/63/1064870163.db2.gz UHWZDTWWRNMXML-UHFFFAOYSA-N 0 1 458.319 4.954 20 30 JJEDMN CCN1CCN(c2ccc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2F)CC1 ZINC001360091520 1064958248 /nfs/dbraw/zinc/95/82/48/1064958248.db2.gz VYAYNQOHZPMFKQ-UHFFFAOYSA-N 0 1 458.537 4.562 20 30 JJEDMN CN1CC[C@H](CNC(=O)c2ccc(Br)cc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749417 1064972983 /nfs/dbraw/zinc/97/29/83/1064972983.db2.gz MXCRRXCOTIJTLJ-BFUOFWGJSA-N 0 1 450.739 4.536 20 30 JJEDMN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)s2)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001360469364 1065384654 /nfs/dbraw/zinc/38/46/54/1065384654.db2.gz BIMOGYYRMCPGGN-HOTGVXAUSA-N 0 1 489.443 4.938 20 30 JJEDMN N#Cc1ccc(Cc2cnc(NC(=O)c3ccc(-c4nnc[nH]4)cc3)s2)c(C(F)(F)F)c1 ZINC001441727272 1066064905 /nfs/dbraw/zinc/06/49/05/1066064905.db2.gz PUSFCPRYDDINMC-UHFFFAOYSA-N 0 1 454.437 4.662 20 30 JJEDMN C=CCCC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1 ZINC001454538740 1066298068 /nfs/dbraw/zinc/29/80/68/1066298068.db2.gz KULIJFWDXSUWDY-RTBURBONSA-N 0 1 457.537 4.674 20 30 JJEDMN CCOc1cc(N2CCN(C)CC2)ccc1NC(=O)c1ccccc1Oc1ccccc1C#N ZINC001361252288 1066599789 /nfs/dbraw/zinc/59/97/89/1066599789.db2.gz FZQHBUCZLIGVSL-UHFFFAOYSA-N 0 1 456.546 4.753 20 30 JJEDMN C=CCC[C@H](NC(=O)c1c[nH]c2ccc(I)cc2c1=O)c1ccccc1 ZINC001545981540 1066665993 /nfs/dbraw/zinc/66/59/93/1066665993.db2.gz VSJODIKDGGBVCE-SFHVURJKSA-N 0 1 458.299 4.570 20 30 JJEDMN CCC(CC)[C@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)[C@H]1CCC[C@H](C)C1)N1CCOCC1 ZINC001545807954 1067130324 /nfs/dbraw/zinc/13/03/24/1067130324.db2.gz QAKWFNCHRBHIOI-MZBJOSPHSA-N 0 1 478.685 4.969 20 30 JJEDMN COc1ccccc1/C=C(/C(=O)NC1CCN(Cc2cccc(C#N)c2)CC1)c1ccccc1 ZINC001452695593 1067245517 /nfs/dbraw/zinc/24/55/17/1067245517.db2.gz YVHMTRGMXPCQQG-ZXVVBBHZSA-N 0 1 451.570 4.888 20 30 JJEDMN C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)N1CCC(C(=O)Nc2cccc(C#N)c2)CC1 ZINC001459747960 1067404949 /nfs/dbraw/zinc/40/49/49/1067404949.db2.gz LGPGWRHPAMLUIN-VQTJNVASSA-N 0 1 454.574 4.628 20 30 JJEDMN CCO[C@H]1C[C@@H](N(C)CC(=O)Nc2c(C#N)c(C)c(C)n2Cc2ccccc2)C1(CC)CC ZINC001459748471 1067405013 /nfs/dbraw/zinc/40/50/13/1067405013.db2.gz LNBWSLIBCKIDQD-RPWUZVMVSA-N 0 1 450.627 4.879 20 30 JJEDMN CC[C@@H]1CN([C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001459894771 1067477302 /nfs/dbraw/zinc/47/73/02/1067477302.db2.gz XTGDHWAOPZMGPG-MQSCRBSSSA-N 0 1 456.631 4.564 20 30 JJEDMN C[C@H]1CCc2c(C#N)c(NC(=O)CCN3CCC(O)(c4ccccc4Cl)CC3)sc2C1 ZINC001460058466 1067541580 /nfs/dbraw/zinc/54/15/80/1067541580.db2.gz DZZCTICRCVRCCU-INIZCTEOSA-N 0 1 458.027 4.710 20 30 JJEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCC(CCNC(=O)OC(C)(C)C)CC2)c1 ZINC001460336089 1067610968 /nfs/dbraw/zinc/61/09/68/1067610968.db2.gz SEICJYYKSOOZMJ-NRFANRHFSA-N 0 1 456.631 4.565 20 30 JJEDMN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)Nc2cc(Cl)ccc2C#N)C1 ZINC001460408744 1067629101 /nfs/dbraw/zinc/62/91/01/1067629101.db2.gz MPBSFSJNTUSZSK-IFMALSPDSA-N 0 1 468.985 4.533 20 30 JJEDMN N#Cc1cccc(-c2cc(C(=O)Nc3nnc(Cc4ccc(C(F)(F)F)cc4)s3)on2)c1 ZINC001460921877 1067748362 /nfs/dbraw/zinc/74/83/62/1067748362.db2.gz MFCZXSVTWRZAIQ-UHFFFAOYSA-N 0 1 455.421 4.927 20 30 JJEDMN CCC1(CC)CN(c2nnc(COc3ccc(C#N)cc3)n2C[C@@H](c2ccco2)N(C)C)CCS1 ZINC001546120838 1067762446 /nfs/dbraw/zinc/76/24/46/1067762446.db2.gz BCQGNILKBIFARI-QFIPXVFZSA-N 0 1 494.665 4.737 20 30 JJEDMN CC(C)N1CCc2c(c3ccccc3n2CC(=O)Nc2cccc(C#N)c2Br)C1 ZINC001461027113 1067764630 /nfs/dbraw/zinc/76/46/30/1067764630.db2.gz WONKNFZFVXXRQI-UHFFFAOYSA-N 0 1 451.368 4.681 20 30 JJEDMN N#Cc1cccc(CN2CCC(NC(=O)c3ncoc3-c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001461244396 1067808572 /nfs/dbraw/zinc/80/85/72/1067808572.db2.gz KDFOHZOSPAXFCH-UHFFFAOYSA-N 0 1 454.452 4.626 20 30 JJEDMN C=CCOc1c(Cl)cc(CN[C@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001461270510 1067814881 /nfs/dbraw/zinc/81/48/81/1067814881.db2.gz YSSMXHKIEBUHMP-INIZCTEOSA-N 0 1 454.876 4.827 20 30 JJEDMN C=CCOc1c(Cl)cc(CN[C@@H]2CC(=O)N(c3cccc(C(F)(F)F)c3)C2)cc1OC ZINC001461270514 1067814920 /nfs/dbraw/zinc/81/49/20/1067814920.db2.gz YSSMXHKIEBUHMP-MRXNPFEDSA-N 0 1 454.876 4.827 20 30 JJEDMN CCN(CC)[C@@H](CNS(=O)(=O)c1ccc(CCC#N)cc1)c1ccc(C(F)(F)F)cc1 ZINC001462920034 1068214841 /nfs/dbraw/zinc/21/48/41/1068214841.db2.gz BNEJZIHOJHUKFM-NRFANRHFSA-N 0 1 453.530 4.523 20 30 JJEDMN CC(C)(C)OC(=O)N[C@@H](CCCCC#N)C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC001464632083 1068804377 /nfs/dbraw/zinc/80/43/77/1068804377.db2.gz FVFOZQINDQHZOK-SFHVURJKSA-N 0 1 454.575 4.685 20 30 JJEDMN N#Cc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164707735 719906504 /nfs/dbraw/zinc/90/65/04/719906504.db2.gz WWBSGOJIGZBMBX-UHFFFAOYSA-N 0 1 482.009 4.727 20 30 JJEDMN N#Cc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1 ZINC001164707128 719907677 /nfs/dbraw/zinc/90/76/77/719907677.db2.gz NWUNNKRYVOMBGO-UHFFFAOYSA-N 0 1 482.009 4.727 20 30 JJEDMN CC(C)(C)C(=O)Nc1ccc(C#C[Si](C)(C)C)nc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164730947 720416818 /nfs/dbraw/zinc/41/68/18/720416818.db2.gz KALHUEUNRWDDRC-BJKOFHAPSA-N 0 1 475.713 4.543 20 30 JJEDMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768949 721250318 /nfs/dbraw/zinc/25/03/18/721250318.db2.gz ZDPHQRXAIHEAOU-HOTGVXAUSA-N 0 1 491.373 4.650 20 30 JJEDMN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3c(C#N)c(Cl)nc4cccc(C)c43)C2)C1 ZINC001164780732 721376918 /nfs/dbraw/zinc/37/69/18/721376918.db2.gz IJFFRYKUFYXCNY-SANMLTNESA-N 0 1 480.012 4.792 20 30 JJEDMN Cc1ccc([C@@H](C#N)c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164905670 721585570 /nfs/dbraw/zinc/58/55/70/721585570.db2.gz KKHFXOGLXIEJAM-BVAGGSTKSA-N 0 1 474.559 4.573 20 30 JJEDMN Cc1c(Cl)c(Cl)nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1C#N ZINC001164907885 721692791 /nfs/dbraw/zinc/69/27/91/721692791.db2.gz VPHVLGQRNZXBMJ-HXUWFJFHSA-N 0 1 452.336 4.701 20 30 JJEDMN CC(C)CCN(CCC#N)c1nnc(-c2ccc(Br)cc2)n1CCN1CCSCC1 ZINC001359927099 1064662485 /nfs/dbraw/zinc/66/24/85/1064662485.db2.gz NWFIUDMOBVUNFJ-UHFFFAOYSA-N 0 1 491.503 4.523 20 30 JJEDMN CC(C)CN1CCO[C@@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCC(C)(C#N)CC2)C1 ZINC001360034486 1064839436 /nfs/dbraw/zinc/83/94/36/1064839436.db2.gz FWGJGRSXODSHGV-LJQANCHMSA-N 0 1 491.467 4.739 20 30 JJEDMN CC(C)(C(=O)Nc1cc(F)cc(CNC(=O)C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC001438209158 1065696934 /nfs/dbraw/zinc/69/69/34/1065696934.db2.gz ONUVJZIWEHIKKU-UHFFFAOYSA-N 0 1 450.354 4.939 20 30 JJEDMN COc1ccccc1[C@@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)N1CCCC1 ZINC001440373715 1065934190 /nfs/dbraw/zinc/93/41/90/1065934190.db2.gz RJWDHQFQKZEBNQ-AREMUKBSSA-N 0 1 455.558 4.713 20 30 JJEDMN COc1ccccc1[C@H](CNC(=O)c1cccc(COc2ccc(C#N)cc2)c1)N1CCCC1 ZINC001440373723 1065934208 /nfs/dbraw/zinc/93/42/08/1065934208.db2.gz RJWDHQFQKZEBNQ-SANMLTNESA-N 0 1 455.558 4.713 20 30 JJEDMN N#Cc1cc(Cl)c(C(=O)Nc2nc3ccc(I)cc3[nH]2)c(Cl)c1 ZINC001453964298 1066226446 /nfs/dbraw/zinc/22/64/46/1066226446.db2.gz WIBBLXPFVHOPAC-UHFFFAOYSA-N 0 1 457.058 4.598 20 30 JJEDMN N#C[C@@H](NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1)c1c(Cl)cccc1Cl ZINC001443354584 1066299159 /nfs/dbraw/zinc/29/91/59/1066299159.db2.gz DFQPAACQDPZMFV-LJQANCHMSA-N 0 1 451.785 4.540 20 30 JJEDMN Cc1cc(Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)C[C@H](C)C#N)cc(N2CCCC2)n1 ZINC001361071192 1066311481 /nfs/dbraw/zinc/31/14/81/1066311481.db2.gz FBNPNEXYDLNPSM-MRXNPFEDSA-N 0 1 467.980 4.685 20 30 JJEDMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@](C)(C#N)C3)n2CCCCN2CCOCC2)c1 ZINC001361127467 1066388547 /nfs/dbraw/zinc/38/85/47/1066388547.db2.gz JGAYNIXBBSEZTD-MUUNZHRXSA-N 0 1 494.684 4.531 20 30 JJEDMN Cc1ccc(C)c(OCc2nnc(N(C)[C@@H](C)CC#N)n2C[C@H](c2ccsc2)N(C)C)c1 ZINC001361145416 1066427878 /nfs/dbraw/zinc/42/78/78/1066427878.db2.gz XJEDQBZPGJXGAQ-PZJWPPBQSA-N 0 1 452.628 4.577 20 30 JJEDMN Cc1ccc(C)c(OCc2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](c2ccsc2)N(C)C)c1 ZINC001361145414 1066428155 /nfs/dbraw/zinc/42/81/55/1066428155.db2.gz XJEDQBZPGJXGAQ-CTNGQTDRSA-N 0 1 452.628 4.577 20 30 JJEDMN N#Cc1cccc(C(=O)N2CCN(Cc3ccccc3)C3(CCCCC3)C2)c1Br ZINC001444501435 1066468914 /nfs/dbraw/zinc/46/89/14/1066468914.db2.gz IDHMGXXNMOIKCD-UHFFFAOYSA-N 0 1 452.396 4.982 20 30 JJEDMN O=C(Nc1cc(C(F)(F)F)n[nH]1)c1c(C(F)(F)F)nn(-c2ccccc2)c1C(F)(F)F ZINC001546019939 1067055273 /nfs/dbraw/zinc/05/52/73/1067055273.db2.gz KNQYNUCKRLRZAE-UHFFFAOYSA-N 0 1 457.256 4.904 20 30 JJEDMN CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N(C)CC1CCCC1)N1CCOCC1 ZINC001545807873 1067129568 /nfs/dbraw/zinc/12/95/68/1067129568.db2.gz PBVDWHDSHNHCII-RUZDIDTESA-N 0 1 464.658 4.580 20 30 JJEDMN CCC(CC)[C@@H](Cn1c(-c2cccc(C#N)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)N1CCOCC1 ZINC001545808032 1067131178 /nfs/dbraw/zinc/13/11/78/1067131178.db2.gz RAYFPOXRRDFFTH-JWQCQUIFSA-N 0 1 478.685 4.826 20 30 JJEDMN CC[C@@H]1CN([C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001459894774 1067477233 /nfs/dbraw/zinc/47/72/33/1067477233.db2.gz XTGDHWAOPZMGPG-XJUOHMSHSA-N 0 1 456.631 4.564 20 30 JJEDMN CSc1ccccc1OC[C@H](O)CN(CC#Cc1ccc(OC(F)(F)F)cc1)C(C)C ZINC001460239346 1067588837 /nfs/dbraw/zinc/58/88/37/1067588837.db2.gz FXHLVKNOIXCCCH-LJQANCHMSA-N 0 1 453.526 4.809 20 30 JJEDMN CCC1(CC)CN(c2nnc(-c3cccc(C#N)c3)n2C[C@@H](c2ccco2)N(C)C)CCS1 ZINC001546115166 1067593979 /nfs/dbraw/zinc/59/39/79/1067593979.db2.gz UZBFDBQTOXRLAZ-NRFANRHFSA-N 0 1 464.639 4.825 20 30 JJEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC(CCNC(=O)OC(C)(C)C)CC2)c1 ZINC001460336091 1067610924 /nfs/dbraw/zinc/61/09/24/1067610924.db2.gz SEICJYYKSOOZMJ-OAQYLSRUSA-N 0 1 456.631 4.565 20 30 JJEDMN CC(C)(C)OC(=O)Nc1cccc2c1CN(CCC(=O)Nc1ccc(C#N)c(Cl)c1)CC2 ZINC001460983196 1067756737 /nfs/dbraw/zinc/75/67/37/1067756737.db2.gz XXOJBGXEGWLRLM-UHFFFAOYSA-N 0 1 454.958 4.946 20 30 JJEDMN Cc1ccc(Oc2ccc(OCC(=O)NC3CCN(Cc4cccc(C#N)c4)CC3)cc2)cc1 ZINC001461244653 1067808448 /nfs/dbraw/zinc/80/84/48/1067808448.db2.gz KKVSCUVZBQWANR-UHFFFAOYSA-N 0 1 455.558 4.819 20 30 JJEDMN C=CCc1cc(CNc2ccccc2N2CCN(CCc3ccncc3)CC2)cc(OC)c1O ZINC001461404319 1067847776 /nfs/dbraw/zinc/84/77/76/1067847776.db2.gz FQBIDRDDOXHFMU-UHFFFAOYSA-N 0 1 458.606 4.501 20 30 JJEDMN C[C@](CO)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cc1 ZINC001461498360 1067876779 /nfs/dbraw/zinc/87/67/79/1067876779.db2.gz NPRNBNSNZORYHP-XMMPIXPASA-N 0 1 451.364 4.897 20 30 JJEDMN C[C@@](CO)(NCc1cccc(OCc2cccc(C#N)c2)c1)c1ccc(Br)cc1 ZINC001461498357 1067876814 /nfs/dbraw/zinc/87/68/14/1067876814.db2.gz NPRNBNSNZORYHP-DEOSSOPVSA-N 0 1 451.364 4.897 20 30 JJEDMN CCN(CC)[C@@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC001462009900 1067979665 /nfs/dbraw/zinc/97/96/65/1067979665.db2.gz HESNSMRLSVVHEW-HSZRJFAPSA-N 0 1 458.528 4.745 20 30 JJEDMN Cc1nn(-c2cccc(Br)c2)cc1CN1CCC(Oc2ccc(C#N)cc2)CC1 ZINC001462180608 1068023340 /nfs/dbraw/zinc/02/33/40/1068023340.db2.gz QZPXIXODILUBGD-UHFFFAOYSA-N 0 1 451.368 4.858 20 30 JJEDMN N#Cc1ccc(OC2CCN(Cc3c[nH]nc3-c3ccc(Br)cc3)CC2)c(F)c1 ZINC001462214771 1068030102 /nfs/dbraw/zinc/03/01/02/1068030102.db2.gz LLIIEETZJFLMGQ-UHFFFAOYSA-N 0 1 455.331 4.893 20 30 JJEDMN CCN(CC)[C@H](CNS(=O)(=O)c1cccc(Cl)c1C#N)c1ccc(C(F)(F)F)cc1 ZINC001462925532 1068216603 /nfs/dbraw/zinc/21/66/03/1068216603.db2.gz NRIAQYBGPWJWNI-GOSISDBHSA-N 0 1 459.921 4.592 20 30 JJEDMN CC(C)(C)OC(=O)N[C@H](CCCCC#N)C(=O)Nc1nc(-c2ccc(C(C)(C)C)cc2)n[nH]1 ZINC001464632080 1068804225 /nfs/dbraw/zinc/80/42/25/1068804225.db2.gz FVFOZQINDQHZOK-GOSISDBHSA-N 0 1 454.575 4.685 20 30 JJEDMN N#Cc1c(Cl)c2ccc(F)cc2nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164707548 719910394 /nfs/dbraw/zinc/91/03/94/719910394.db2.gz TYDDFWYYDXMTEE-UHFFFAOYSA-N 0 1 456.974 4.832 20 30 JJEDMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncc(C#N)c5sc(-c6ccccc6)cc54)C3)O2)CC1 ZINC001164886617 721415649 /nfs/dbraw/zinc/41/56/49/721415649.db2.gz KIANHEYOZYEOFH-FIPFOOKPSA-N 0 1 487.673 4.600 20 30 JJEDMN N#Cc1ccc(-c2cc(C(F)(F)N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c(Cl)nn2)cc1 ZINC001164904707 721567990 /nfs/dbraw/zinc/56/79/90/721567990.db2.gz FJBGCJCCTHXSNU-FPOVZHCZSA-N 0 1 499.924 4.695 20 30 JJEDMN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907095 721584605 /nfs/dbraw/zinc/58/46/05/721584605.db2.gz RMRGMGWRHBERKE-IBGZPJMESA-N 0 1 488.316 4.938 20 30 JJEDMN Cc1c(Cl)c(Cl)nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1C#N ZINC001164907882 721692780 /nfs/dbraw/zinc/69/27/80/721692780.db2.gz VPHVLGQRNZXBMJ-FQEVSTJZSA-N 0 1 452.336 4.701 20 30 JJEDMN Cc1ccc(CN2CCOC3(CCN(c4ccc([C@@H](C#N)c5ccc(C)cc5)nn4)CC3)C2)cc1 ZINC001164938823 721921065 /nfs/dbraw/zinc/92/10/65/721921065.db2.gz RVLIJSPOKUCMJO-SANMLTNESA-N 0 1 467.617 4.620 20 30 JJEDMN Cc1ccc(CN2CCOC3(CCN(c4ccc(COc5ccc(CC#N)cc5)cn4)CC3)C2)cc1 ZINC001164940138 721931135 /nfs/dbraw/zinc/93/11/35/721931135.db2.gz QNRAZECJEWCLKK-UHFFFAOYSA-N 0 1 482.628 4.907 20 30 JJEDMN Cc1cccc2nc(Cl)c(C#N)c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c12 ZINC001164966537 722062751 /nfs/dbraw/zinc/06/27/51/722062751.db2.gz VUANEFPQJXIXDM-UHFFFAOYSA-N 0 1 461.997 4.582 20 30 JJEDMN O=C(Cn1nc(C(F)F)cc1C(F)F)Nc1ccc2nc(C(F)(F)C(F)(F)F)[nH]c2c1 ZINC001435595139 1064860638 /nfs/dbraw/zinc/86/06/38/1064860638.db2.gz AJVCFSWHDYLDKL-UHFFFAOYSA-N 0 1 459.272 4.927 20 30 JJEDMN CN1CC[C@@H](CNC(=O)c2ccc(Br)cc2C#N)[C@H]1c1ccc(Cl)c(F)c1 ZINC001435749420 1064973267 /nfs/dbraw/zinc/97/32/67/1064973267.db2.gz MXCRRXCOTIJTLJ-ORAYPTAESA-N 0 1 450.739 4.536 20 30 JJEDMN C[C@H](CC#N)N(C)c1nnc(Cc2ccc(F)cc2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001360479050 1065396584 /nfs/dbraw/zinc/39/65/84/1065396584.db2.gz QDXNGQCOBCMQQU-DENIHFKCSA-N 0 1 450.562 4.567 20 30 JJEDMN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@](C)(C#N)C2)n1C[C@H](c1ccco1)N(C)C ZINC001360745916 1065787088 /nfs/dbraw/zinc/78/70/88/1065787088.db2.gz QHIGQLSKTNURIU-NXQMDHLFSA-N 0 1 466.561 4.583 20 30 JJEDMN C[C@@H]1CN(Cc2ccc(CNC(=O)c3cccc(Oc4ccc(C#N)cc4)c3)cc2)C[C@@H](C)O1 ZINC001441330208 1066029657 /nfs/dbraw/zinc/02/96/57/1066029657.db2.gz ZKNMBXSFHGRWRU-NHCUHLMSSA-N 0 1 455.558 4.890 20 30 JJEDMN N#C[C@H](NC(=O)CCN1CCN(c2cccc(Cl)c2)CC1)c1c(Cl)cccc1Cl ZINC001443354519 1066299222 /nfs/dbraw/zinc/29/92/22/1066299222.db2.gz DFQPAACQDPZMFV-IBGZPJMESA-N 0 1 451.785 4.540 20 30 JJEDMN Cc1cc(Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H](C)CC#N)cc(N2CCCC2)n1 ZINC001361084444 1066322626 /nfs/dbraw/zinc/32/26/26/1066322626.db2.gz SBXSRRCKFGSQNR-JOCHJYFZSA-N 0 1 473.625 4.564 20 30 JJEDMN Cc1ccc(C(C)C)c(OCc2nnc(N3CCC[C@@](C)(C#N)C3)n2CCCCN2CCOCC2)c1 ZINC001361127468 1066388517 /nfs/dbraw/zinc/38/85/17/1066388517.db2.gz JGAYNIXBBSEZTD-NDEPHWFRSA-N 0 1 494.684 4.531 20 30 JJEDMN N#Cc1cccc(-c2cc(C(=O)Nc3ccc(NC(=O)CN4CCCCCCC4)cc3)on2)c1 ZINC001361176023 1066494602 /nfs/dbraw/zinc/49/46/02/1066494602.db2.gz HBDQUYQRISAKIS-UHFFFAOYSA-N 0 1 457.534 4.670 20 30 JJEDMN CC[C@@H](c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)N1C[C@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545736938 1067001223 /nfs/dbraw/zinc/00/12/23/1067001223.db2.gz XPEKLKFOOBOUDC-WPFOTENUSA-N 0 1 478.685 4.838 20 30 JJEDMN N#C[C@@H](CCc1ccccc1)C(=O)N(Cc1ccncc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001450139050 1067053137 /nfs/dbraw/zinc/05/31/37/1067053137.db2.gz HXJUKRJJMHQNNO-VSGBNLITSA-N 0 1 452.602 4.847 20 30 JJEDMN CCC(C)(C)[C@@H]1CCc2c(C#N)c(NC(=O)CN[C@]3(CO)CCc4ccccc43)sc2C1 ZINC001459784980 1067421012 /nfs/dbraw/zinc/42/10/12/1067421012.db2.gz HIBQBWFKEGIAIU-DWXRJYCRSA-N 0 1 451.636 4.523 20 30 JJEDMN Cc1cc(C)c(NC(=O)CNC(=O)CN[C@@H](C)c2ccc(-c3cccc(C#N)c3)cc2)c(C)c1 ZINC001459937489 1067499154 /nfs/dbraw/zinc/49/91/54/1067499154.db2.gz XEPZXKYPDQGRRK-NRFANRHFSA-N 0 1 454.574 4.556 20 30 JJEDMN C=CCCN(C)CC(=O)Nc1cc(-c2ccc(Br)cc2)sc1C(=O)OCC ZINC001459955495 1067505703 /nfs/dbraw/zinc/50/57/03/1067505703.db2.gz DBUXXZSCFUFODK-UHFFFAOYSA-N 0 1 451.386 4.801 20 30 JJEDMN COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCC(Oc4ccc(C#N)cc4)CC3)ccc2c1 ZINC001460045915 1067538463 /nfs/dbraw/zinc/53/84/63/1067538463.db2.gz BEXIJVXXIYMCHU-FQEVSTJZSA-N 0 1 457.574 4.610 20 30 JJEDMN COc1ccc(C[C@H]2CCCN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)C2)cc1 ZINC001460134291 1067561517 /nfs/dbraw/zinc/56/15/17/1067561517.db2.gz IHESCPAQIGUEPD-HSZRJFAPSA-N 0 1 456.590 4.868 20 30 JJEDMN COc1ccc(C[C@@H]2CCCN(CC(=O)Nc3c(C#N)c(C)c(C)n3-c3ccccc3)C2)cc1 ZINC001460134292 1067561569 /nfs/dbraw/zinc/56/15/69/1067561569.db2.gz IHESCPAQIGUEPD-QHCPKHFHSA-N 0 1 456.590 4.868 20 30 JJEDMN C[C@@H](C#N)CSc1ccccc1NC(=O)CN[C@@H](C)c1ccc(N2CCCOC2=O)cc1 ZINC001460157521 1067566921 /nfs/dbraw/zinc/56/69/21/1067566921.db2.gz MJTLOPMWESZESR-ROUUACIJSA-N 0 1 452.580 4.574 20 30 JJEDMN CC(C)(C)OC(=O)N1CCC[C@H]([C@H]2CCCCN2Cc2nnc(-c3ccc(C#N)cc3)o2)C1 ZINC001460211582 1067580456 /nfs/dbraw/zinc/58/04/56/1067580456.db2.gz GWSVEIGHUVTDQE-LEWJYISDSA-N 0 1 451.571 4.610 20 30 JJEDMN C#CC[N@H+](Cc1cc(=O)oc2cc(CC)c(Cl)cc12)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460777748 1067721479 /nfs/dbraw/zinc/72/14/79/1067721479.db2.gz JBLBPKIJXCMRAE-UHFFFAOYSA-N 0 1 458.986 4.844 20 30 JJEDMN C#CCN(Cc1cc(=O)oc2cc(CC)c(Cl)cc12)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001460777748 1067721490 /nfs/dbraw/zinc/72/14/90/1067721490.db2.gz JBLBPKIJXCMRAE-UHFFFAOYSA-N 0 1 458.986 4.844 20 30 JJEDMN CN(C)c1ncc(CN2C[C@H]3[C@@H](C2)C(F)(F)C(F)(F)C(F)(F)C3(F)F)c2ccccc21 ZINC001460874875 1067740125 /nfs/dbraw/zinc/74/01/25/1067740125.db2.gz IOFLVTIOPLNHHA-GASCZTMLSA-N 0 1 453.377 4.904 20 30 JJEDMN Cc1c(Cl)cccc1N1CCN(CCC(=O)Nc2sc3c(c2C#N)CC[C@@H](C)C3)CC1 ZINC001460915035 1067747291 /nfs/dbraw/zinc/74/72/91/1067747291.db2.gz OIUIHXKIFOJGJV-MRXNPFEDSA-N 0 1 457.043 4.857 20 30 JJEDMN COc1ccc(C(=O)Nc2cccc(CNCc3cn(C)nc3-c3ccc(C#N)cc3)c2)cc1 ZINC001461432726 1067854868 /nfs/dbraw/zinc/85/48/68/1067854868.db2.gz RZEGQMSPPHTNLG-UHFFFAOYSA-N 0 1 451.530 4.509 20 30 JJEDMN CCN(CC)[C@H](C(=O)NC1CCN(c2ccccc2C#N)CC1)c1cccc(C(F)(F)F)c1 ZINC001462009903 1067979617 /nfs/dbraw/zinc/97/96/17/1067979617.db2.gz HESNSMRLSVVHEW-QHCPKHFHSA-N 0 1 458.528 4.745 20 30 JJEDMN C#CCOc1cccc(Cl)c1CN1CCC([C@@H]2C[C@@H]2NC(=O)OCc2ccccc2)CC1 ZINC001462291518 1068044385 /nfs/dbraw/zinc/04/43/85/1068044385.db2.gz GVVZOMAIPOBGGH-URXFXBBRSA-N 0 1 452.982 4.879 20 30 JJEDMN CSc1nc(-c2ccccc2)nc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1C#N ZINC001164697092 719894794 /nfs/dbraw/zinc/89/47/94/719894794.db2.gz JOKMAJSYZCHEIM-UHFFFAOYSA-N 0 1 477.659 4.670 20 30 JJEDMN COc1ccc(-c2n[nH]c(NC(=O)c3ccc(Oc4ccc(C#N)cc4C)cc3)n2)c(OC)c1 ZINC001434949531 1064370412 /nfs/dbraw/zinc/37/04/12/1064370412.db2.gz ZKDAVRSTBZQVSD-UHFFFAOYSA-N 0 1 455.474 4.714 20 30 JJEDMN CC(C)CCOCCCn1c(-c2cccc(Cl)c2)nnc1N1CCc2[nH]c(=O)c(C#N)cc2C1 ZINC001359958895 1064729780 /nfs/dbraw/zinc/72/97/80/1064729780.db2.gz LINJIAHCHNHMPF-UHFFFAOYSA-N 0 1 481.000 4.586 20 30 JJEDMN CC(C)N1CCN(c2nnc(-c3cccc(C#N)c3)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001360149754 1065053779 /nfs/dbraw/zinc/05/37/79/1065053779.db2.gz BHAWRKRGEZPSGU-UHFFFAOYSA-N 0 1 460.548 4.716 20 30 JJEDMN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](c1ccco1)N(C)C ZINC001360470100 1065386720 /nfs/dbraw/zinc/38/67/20/1065386720.db2.gz LLMDBCVCCZXVIR-KBXCAEBGSA-N 0 1 491.821 4.995 20 30 JJEDMN C[C@@H](CC#N)N(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@@H](c1ccco1)N(C)C ZINC001360470102 1065386743 /nfs/dbraw/zinc/38/67/43/1065386743.db2.gz LLMDBCVCCZXVIR-KSSFIOAISA-N 0 1 491.821 4.995 20 30 JJEDMN C[C@H](Oc1ccc(F)cc1)c1nnc(N2CCC[C@@](C)(C#N)C2)n1C[C@@H](c1ccco1)N(C)C ZINC001360745915 1065787104 /nfs/dbraw/zinc/78/71/04/1065787104.db2.gz QHIGQLSKTNURIU-HMHJJOSWSA-N 0 1 466.561 4.583 20 30 JJEDMN CC1(C#N)CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2CCN2CC=CCC2)CC1 ZINC001360792687 1065907078 /nfs/dbraw/zinc/90/70/78/1065907078.db2.gz YIDPAVPYFUQAMW-UHFFFAOYSA-N 0 1 475.424 4.556 20 30 JJEDMN COc1ccccc1[C@@H](CNC(=O)c1cccc(COc2cccc(C#N)c2)c1)N1CCCC1 ZINC001440371459 1065933721 /nfs/dbraw/zinc/93/37/21/1065933721.db2.gz NZFBVPYRTNJTPL-AREMUKBSSA-N 0 1 455.558 4.713 20 30 JJEDMN N#CCSc1cccc(C(=O)NCc2ccccc2CN2CCN(c3ccccc3)CC2)c1 ZINC001441311360 1066024786 /nfs/dbraw/zinc/02/47/86/1066024786.db2.gz LCPOVSISKJFQNT-UHFFFAOYSA-N 0 1 456.615 4.554 20 30 JJEDMN Cc1cc(-c2nnc(N(C)[C@H](C)CC#N)n2C[C@@H](c2ccco2)N(C)C)c(C)n1-c1ccccc1 ZINC001361045248 1066269243 /nfs/dbraw/zinc/26/92/43/1066269243.db2.gz RBQUMJDEOLKIMB-DVECYGJZSA-N 0 1 471.609 4.987 20 30 JJEDMN CC(C)CCN(CCC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(F)cc2)c1 ZINC001443573844 1066330042 /nfs/dbraw/zinc/33/00/42/1066330042.db2.gz NAKZXOJFWWVXKL-UHFFFAOYSA-N 0 1 451.951 4.682 20 30 JJEDMN O=C(N[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[C@@H]1CCc2[nH]cnc2C1 ZINC001546069533 1066368243 /nfs/dbraw/zinc/36/82/43/1066368243.db2.gz ORDPJUPHWIJSLF-XLKFXECMSA-N 0 1 459.312 4.972 20 30 JJEDMN CCN(C[C@@H](C)C#N)C(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)c(Cl)cc1Cl ZINC001457572048 1066867199 /nfs/dbraw/zinc/86/71/99/1066867199.db2.gz DNRXDXYPKCVMMO-AWEZNQCLSA-N 0 1 454.379 4.724 20 30 JJEDMN N#Cc1cc(N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)ncc1Br ZINC001458092836 1066972806 /nfs/dbraw/zinc/97/28/06/1066972806.db2.gz HZQOXLAELHKFPH-UHFFFAOYSA-N 0 1 457.372 4.906 20 30 JJEDMN CC[C@H](c1nnc(N2CCC(C)(C#N)CC2)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1)c1ccccc1 ZINC001545736939 1067001438 /nfs/dbraw/zinc/00/14/38/1067001438.db2.gz XPEKLKFOOBOUDC-ZDXQCDESSA-N 0 1 478.685 4.838 20 30 JJEDMN CCC1(CC)CCN(c2nnc(-c3ccc(C#N)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@H](C)C2)C1 ZINC001546104732 1067196619 /nfs/dbraw/zinc/19/66/19/1067196619.db2.gz HRFMLAAVBWKVLQ-NHCUHLMSSA-N 0 1 464.658 4.721 20 30 JJEDMN C=CCN1C(=O)N=NC1SCc1csc(N(C(C)=O)c2cccc(C(F)(F)F)c2)n1 ZINC001458998966 1067225238 /nfs/dbraw/zinc/22/52/38/1067225238.db2.gz ZVKYEILQURMYGT-UHFFFAOYSA-N 0 1 455.487 4.622 20 30 JJEDMN C=CCn1nc(C)c(-c2cc(C(=O)N(C)[C@@H]3CCCc4c(OC)ccc(Cl)c43)n[nH]2)c1C ZINC001452767973 1067250031 /nfs/dbraw/zinc/25/00/31/1067250031.db2.gz NVQPGKQBGMYUNI-HXUWFJFHSA-N 0 1 453.974 4.888 20 30 JJEDMN C#CCN(C[C@H](O)c1ccc(C(F)(F)F)cc1)[C@H]1CCOc2ccc(Br)cc21 ZINC001459505852 1067340122 /nfs/dbraw/zinc/34/01/22/1067340122.db2.gz DHEAREMVIDGGME-OALUTQOASA-N 0 1 454.286 4.960 20 30 JJEDMN CCCN(CC(=O)Nc1sc2c(c1C#N)CCCCC2)[C@@H](C)CC(=O)Nc1ccccc1 ZINC001460003408 1067522870 /nfs/dbraw/zinc/52/28/70/1067522870.db2.gz PXWVDCLGICOMEU-SFHVURJKSA-N 0 1 452.624 4.956 20 30 JJEDMN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCC[C@@H](CCNC(=O)OC(C)(C)C)C2)c1 ZINC001460015279 1067528228 /nfs/dbraw/zinc/52/82/28/1067528228.db2.gz IVEOKMQUYZEZBW-YADHBBJMSA-N 0 1 456.631 4.565 20 30 JJEDMN C[C@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460148462 1067565403 /nfs/dbraw/zinc/56/54/03/1067565403.db2.gz OBKWMYGMRAEBPR-HOTGVXAUSA-N 0 1 451.571 4.891 20 30 JJEDMN C[C@@H](N[C@@H](C)c1ccc(-n2cccn2)c(F)c1)C(=O)Nc1sc2c(c1C#N)CCCCC2 ZINC001460148468 1067565422 /nfs/dbraw/zinc/56/54/22/1067565422.db2.gz OBKWMYGMRAEBPR-JKSUJKDBSA-N 0 1 451.571 4.891 20 30 JJEDMN Cc1ccc(N(CCC#N)C(=O)CN(C)C2(CNC(=O)OC(C)(C)C)CCCCC2)cc1C ZINC001460710832 1067706342 /nfs/dbraw/zinc/70/63/42/1067706342.db2.gz RIWMVNNNLRGBKQ-UHFFFAOYSA-N 0 1 456.631 4.710 20 30 JJEDMN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1C[C@@H](C)[C@H](CCNC(=O)OC(C)(C)C)C1 ZINC001460776292 1067721636 /nfs/dbraw/zinc/72/16/36/1067721636.db2.gz VUMGTIFCWBRNDT-CEXWTWQISA-N 0 1 460.644 4.502 20 30 JJEDMN Cc1ccc(C(=O)/C=C/C(=O)Nc2ccc(CN3CCN(Cc4ccccc4)CC3)cc2)cc1 ZINC001464072185 1068605645 /nfs/dbraw/zinc/60/56/45/1068605645.db2.gz IAHUKEOXQMMETR-FOCLMDBBSA-N 0 1 453.586 4.690 20 30 JJEDMN C=CCNC(=O)c1ccc(NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2O)cc1 ZINC001464352170 1068716293 /nfs/dbraw/zinc/71/62/93/1068716293.db2.gz ACHAIWRKLJZGRO-UHFFFAOYSA-N 0 1 455.923 4.528 20 30 JJEDMN C[C@H](NC(=O)c1n[nH]c2ccccc21)C(=O)Nc1ccc(Oc2ccc(C#N)cc2)c(Cl)c1 ZINC001464375248 1068723532 /nfs/dbraw/zinc/72/35/32/1068723532.db2.gz MUFXVZTXXXBZCJ-AWEZNQCLSA-N 0 1 459.893 4.637 20 30 JJEDMN N#CCCCn1cc(C(=O)Nc2ccccc2NS(=O)(=O)c2ccccc2)c2ccccc21 ZINC001464506671 1068768079 /nfs/dbraw/zinc/76/80/79/1068768079.db2.gz LOUPVTKVLVHGFR-UHFFFAOYSA-N 0 1 458.543 4.998 20 30 JJEDMN Cc1nc(CN2CCCC23CCN(c2ccc([C@H](C#N)c4ccccc4F)nn2)CC3)cs1 ZINC001164694113 719811093 /nfs/dbraw/zinc/81/10/93/719811093.db2.gz VALMVIMUOZRRRW-OAQYLSRUSA-N 0 1 462.598 4.671 20 30 JJEDMN Cc1nc(CN2CCCC23CCN(c2ccc([C@@H](C#N)c4ccccc4F)nn2)CC3)cs1 ZINC001164694111 719811200 /nfs/dbraw/zinc/81/12/00/719811200.db2.gz VALMVIMUOZRRRW-NRFANRHFSA-N 0 1 462.598 4.671 20 30 JJEDMN N#Cc1c(Cl)c2cc(F)c(F)cc2nc1N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164707024 719910070 /nfs/dbraw/zinc/91/00/70/719910070.db2.gz MNEWNATYPSRIRC-UHFFFAOYSA-N 0 1 474.964 4.971 20 30 JJEDMN N#Cc1ccc(-c2cc(C(F)(F)N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)cc1 ZINC001164870851 721195724 /nfs/dbraw/zinc/19/57/24/721195724.db2.gz WQHNWEQMCMYNPS-PKTZIBPZSA-N 0 1 495.961 4.693 20 30 JJEDMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5cccc(C#N)c5)c4)C[C@H]3C2)cn1 ZINC001164762697 721247757 /nfs/dbraw/zinc/24/77/57/721247757.db2.gz LHGAONUOXBDCNJ-LEWJYISDSA-N 0 1 482.966 4.510 20 30 JJEDMN Cn1cc(CN2CC[C@@H]3CN(C(F)(F)c4ccc5nc(Cl)c(C#N)c(Cl)c5c4)C[C@@H]3C2)cn1 ZINC001164768948 721250796 /nfs/dbraw/zinc/25/07/96/721250796.db2.gz ZDPHQRXAIHEAOU-CVEARBPZSA-N 0 1 491.373 4.650 20 30 JJEDMN N#Cc1ccc(-c2cc(C(F)(F)N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c(Cl)nn2)cc1 ZINC001164904704 721568182 /nfs/dbraw/zinc/56/81/82/721568182.db2.gz FJBGCJCCTHXSNU-CTNGQTDRSA-N 0 1 499.924 4.695 20 30 JJEDMN N#Cc1c(Cl)nc(Cl)cc1C(F)(F)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907096 721584774 /nfs/dbraw/zinc/58/47/74/721584774.db2.gz RMRGMGWRHBERKE-LJQANCHMSA-N 0 1 488.316 4.938 20 30 JJEDMN Cc1ccc([C@H](C#N)c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nn2)cc1 ZINC001164905674 721585862 /nfs/dbraw/zinc/58/58/62/721585862.db2.gz KKHFXOGLXIEJAM-OZXSUGGESA-N 0 1 474.559 4.573 20 30 JJEDMN N#Cc1c(Cl)c2ccccc2nc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907036 721722761 /nfs/dbraw/zinc/72/27/61/721722761.db2.gz PQVWHVYTDPCKLZ-QHCPKHFHSA-N 0 1 453.924 4.893 20 30 JJEDMN CC1(C)CCCc2cc(C#N)c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc21 ZINC001164912629 721736842 /nfs/dbraw/zinc/73/68/42/721736842.db2.gz OZPORAQMXWCNPV-RUZDIDTESA-N 0 1 451.565 4.700 20 30 JJEDMN