smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C(CCc1ccc(F)c2ccccc12)N1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F ZINC001437134261 1065512158 /nfs/dbraw/zinc/51/21/58/1065512158.db2.gz QCOLQTSQVNWOSL-DYVFJYSZSA-N -1 0 464.381 4.512 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3nc(-c4ccccc4Cl)cs3)cc2[n-]c1=S ZINC001443374539 1066303059 /nfs/dbraw/zinc/30/30/59/1066303059.db2.gz VKPIHYPKROIUCV-UHFFFAOYSA-N -1 0 454.964 4.900 20 30 JJEDRM C[C@@](C#N)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C1CCCCC1 ZINC001444238727 1066432433 /nfs/dbraw/zinc/43/24/33/1066432433.db2.gz ZNTAJAGNMPQLDT-FQEVSTJZSA-N -1 0 452.001 4.795 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)Nc2cc(C(=O)N(C)c3ccccc3)ccc2Cl)cc1C#N ZINC001456767588 1066683950 /nfs/dbraw/zinc/68/39/50/1066683950.db2.gz ZJPSWQCSXPGESG-UHFFFAOYSA-N -1 0 452.923 4.563 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](c4ccc(C(F)(F)F)cc4)C3)cc2[n-]c1=S ZINC001447371786 1066800859 /nfs/dbraw/zinc/80/08/59/1066800859.db2.gz LMGBGHUCNOHPMY-MRXNPFEDSA-N -1 0 459.493 4.520 20 30 JJEDRM C[C@@H](C#N)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CC1 ZINC001457736833 1066907262 /nfs/dbraw/zinc/90/72/62/1066907262.db2.gz RBYZQPOIUBWVFF-ZDUSSCGKSA-N -1 0 452.363 4.558 20 30 JJEDRM N#Cc1ccc(CNC(=O)c2nn(-c3c(Cl)cc(Cl)cc3Cl)cc2[O-])cc1Cl ZINC001457772874 1066915637 /nfs/dbraw/zinc/91/56/37/1066915637.db2.gz HZFYXEDTRFFSFG-UHFFFAOYSA-N -1 0 456.116 4.993 20 30 JJEDRM N#CCCC[C@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC001450279959 1067068777 /nfs/dbraw/zinc/06/87/77/1067068777.db2.gz ZDCXLKXOONPNKO-NRFANRHFSA-N -1 0 453.589 4.643 20 30 JJEDRM C#Cc1cccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)c1 ZINC001451441697 1067172608 /nfs/dbraw/zinc/17/26/08/1067172608.db2.gz OAIPNAHVLYGSBD-UHFFFAOYSA-N -1 0 459.354 4.706 20 30 JJEDRM COc1ccc([C@@H]2CCN(Cc3ccccc3C(F)(F)F)C[C@@H]2[N-]C(=O)C(F)(F)F)cc1F ZINC001460369588 1067619921 /nfs/dbraw/zinc/61/99/21/1067619921.db2.gz ZSUGTNJXOKGSRB-YJBOKZPZSA-N -1 0 478.408 4.890 20 30 JJEDRM O=C([N-]Cc1cc(F)cc(NC(=O)c2cnc3ccccc3c2C(F)(F)F)c1)C(F)(F)F ZINC001462008153 1067979077 /nfs/dbraw/zinc/97/90/77/1067979077.db2.gz MLIIBMLYNVGQBY-UHFFFAOYSA-N -1 0 459.321 4.824 20 30 JJEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@H](CC2CC2)c2cc(F)cc(Br)c2)c(F)c1 ZINC001463559447 1068442511 /nfs/dbraw/zinc/44/25/11/1068442511.db2.gz KKFGCEVWDUIEMR-QGZVFWFLSA-N -1 0 459.287 4.558 20 30 JJEDRM C#CCCCCC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001464183191 1068646223 /nfs/dbraw/zinc/64/62/23/1068646223.db2.gz VVTHOJLMUZOCKR-UHFFFAOYSA-N -1 0 453.333 4.521 20 30 JJEDRM O=C([N-][C@H]1CN(C(=O)c2ccsc2C(F)(F)F)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001437476681 1065559425 /nfs/dbraw/zinc/55/94/25/1065559425.db2.gz QBFBGZDGQPXSLK-JSGCOSHPSA-N -1 0 468.394 4.583 20 30 JJEDRM Cc1c(C(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)sc2cccc(F)c12 ZINC001437699822 1065593537 /nfs/dbraw/zinc/59/35/37/1065593537.db2.gz BOCNMBDUBRRWSL-CABZTGNLSA-N -1 0 456.383 4.563 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N(CCc3ccccc3)Cc3ccccc3)cc2[n-]c1=S ZINC001440865297 1065984882 /nfs/dbraw/zinc/98/48/82/1065984882.db2.gz BTDJSNQJXJWXMM-UHFFFAOYSA-N -1 0 455.583 4.756 20 30 JJEDRM CC(C)(Cc1ccc(C#N)cc1)NC(=O)c1cc(Br)c([O-])c(Br)c1 ZINC001456025377 1066480763 /nfs/dbraw/zinc/48/07/63/1066480763.db2.gz OFIOIAADLLVIOC-UHFFFAOYSA-N -1 0 452.146 4.540 20 30 JJEDRM N#CCOc1cc(F)ccc1NC(=O)c1nn(-c2ccc(Cl)cc2C(F)(F)F)cc1[O-] ZINC001446041986 1066650638 /nfs/dbraw/zinc/65/06/38/1066650638.db2.gz ACQMSRXIZPGVBO-UHFFFAOYSA-N -1 0 454.767 4.544 20 30 JJEDRM CCN(C[C@H](C)C#N)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)c(Cl)cc1Cl ZINC001457572049 1066867909 /nfs/dbraw/zinc/86/79/09/1066867909.db2.gz DNRXDXYPKCVMMO-CQSZACIVSA-N -1 0 454.379 4.724 20 30 JJEDRM C#C[C@@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 ZINC001452199765 1067213655 /nfs/dbraw/zinc/21/36/55/1067213655.db2.gz GIWIPPAAKCSKES-OAQYLSRUSA-N -1 0 459.354 4.899 20 30 JJEDRM O=S(=O)([N-][C@@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccnc1C(F)(F)F ZINC001463506496 1068422658 /nfs/dbraw/zinc/42/26/58/1068422658.db2.gz UCFNSJKFEOQMAP-NSHDSACASA-N -1 0 452.298 4.701 20 30 JJEDRM CC(C)SCCn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCc2[n-]c(=O)c(C#N)cc2C1 ZINC001360417599 1065282292 /nfs/dbraw/zinc/28/22/92/1065282292.db2.gz YGTVKMLIWJOESQ-UHFFFAOYSA-N -1 0 489.432 4.928 20 30 JJEDRM CC(C)Oc1ccc(NC(=O)c2cc(Br)c([O-])c(Br)c2)cc1C#N ZINC001545909180 1065598764 /nfs/dbraw/zinc/59/87/64/1065598764.db2.gz YDTHOUSEPJQDMG-UHFFFAOYSA-N -1 0 454.118 4.828 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2nc(C)cs2)c2nc3ccccc3s2)cc1C#N ZINC001438295972 1065706459 /nfs/dbraw/zinc/70/64/59/1065706459.db2.gz MHRCXVOLYPYJCS-UHFFFAOYSA-N -1 0 453.574 4.602 20 30 JJEDRM O=C([N-]C[C@@H]1C[C@H]1C(F)(F)F)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001439177920 1065794884 /nfs/dbraw/zinc/79/48/84/1065794884.db2.gz WJNSAOYZNDMIIB-POYBYMJQSA-N -1 0 456.127 4.754 20 30 JJEDRM CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(Br)c([O-])c(Br)c1 ZINC001441120193 1066009276 /nfs/dbraw/zinc/00/92/76/1066009276.db2.gz MNDFFYYTEHOWAF-UHFFFAOYSA-N -1 0 452.146 4.841 20 30 JJEDRM C=CCN(Cc1cc(Br)ccc1F)C(=O)c1nn(-c2ccccc2CC)cc1[O-] ZINC001442975185 1066249168 /nfs/dbraw/zinc/24/91/68/1066249168.db2.gz WMILEFCJEBGOSP-UHFFFAOYSA-N -1 0 458.331 4.870 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)NCC3(Sc4ccccc4)CCCC3)cc2[n-]c1=S ZINC001443405710 1066306606 /nfs/dbraw/zinc/30/66/06/1066306606.db2.gz KYKRGEFKUXCBQE-UHFFFAOYSA-N -1 0 451.617 4.706 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H](c4cccc(Cl)c4)C3(C)C)cc2[n-]c1=S ZINC001455407618 1066387584 /nfs/dbraw/zinc/38/75/84/1066387584.db2.gz SPJILQSPRRGDAJ-LJQANCHMSA-N -1 0 453.995 4.933 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C(=O)N3CCC[C@H]3c3ccccc3)cc2)cc1C#N ZINC001456088386 1066507002 /nfs/dbraw/zinc/50/70/02/1066507002.db2.gz NHBGIJQHYKDYSC-NRFANRHFSA-N -1 0 458.543 4.610 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N(Cc3cc(F)ccc3F)C3CCCC3)cc2[n-]c1=S ZINC001445326724 1066557128 /nfs/dbraw/zinc/55/71/28/1066557128.db2.gz QZKKFHLXUKXFMH-UHFFFAOYSA-N -1 0 455.530 4.734 20 30 JJEDRM C=CCn1c(SCC(=O)Nc2ccc3[n-]c(=S)oc3c2)nnc1-c1ccc(Cl)cc1 ZINC001445615399 1066595387 /nfs/dbraw/zinc/59/53/87/1066595387.db2.gz MATKFQIQYSDPMH-UHFFFAOYSA-N -1 0 457.968 4.945 20 30 JJEDRM CC(C)Cn1[n-]c(CC(=O)Nc2ccc(Oc3ccc(C(F)(F)F)cc3)c(C#N)c2)cc1=O ZINC001361275846 1066633543 /nfs/dbraw/zinc/63/35/43/1066633543.db2.gz NCBHBGGQISVVSH-UHFFFAOYSA-N -1 0 458.440 4.696 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H](c4ccc(C(F)(F)F)cc4)C3)cc2[n-]c1=S ZINC001447371784 1066800759 /nfs/dbraw/zinc/80/07/59/1066800759.db2.gz LMGBGHUCNOHPMY-INIZCTEOSA-N -1 0 459.493 4.520 20 30 JJEDRM Cc1cc(F)c(S(=O)(=O)[N-]c2ccccc2)cc1NC(=O)C(C)(C)c1ccc(C#N)cc1 ZINC001448620130 1066943852 /nfs/dbraw/zinc/94/38/52/1066943852.db2.gz MJHIMLMUWWLSKE-UHFFFAOYSA-N -1 0 451.523 4.723 20 30 JJEDRM COc1ccc(-c2nc(SCc3nnc(-c4cccc(Cl)c4)o3)[n-]c(=O)c2C#N)cc1 ZINC001458829191 1067160814 /nfs/dbraw/zinc/16/08/14/1067160814.db2.gz OUFGOMGENYQHQC-UHFFFAOYSA-N -1 0 451.895 4.725 20 30 JJEDRM COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cccc(C(=O)Nc2cc(C)cc(C#N)c2)c1 ZINC001451386560 1067162499 /nfs/dbraw/zinc/16/24/99/1067162499.db2.gz GMOOOTNAUKPBPD-UHFFFAOYSA-N -1 0 455.923 4.582 20 30 JJEDRM C[C@H]1[C@@H]([N-]C(=O)C(F)(F)F)CCCN1C(=O)c1cccc(Oc2cccc(Cl)c2C#N)c1 ZINC001452516974 1067230538 /nfs/dbraw/zinc/23/05/38/1067230538.db2.gz LVSOJIYJFJWTFF-UGSOOPFHSA-N -1 0 465.859 4.676 20 30 JJEDRM CC(C)(CC(=O)N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1)CC(F)(F)F ZINC001453141331 1067283241 /nfs/dbraw/zinc/28/32/41/1067283241.db2.gz ZLXHFDJUSFWJDD-GJZGRUSLSA-N -1 0 456.402 4.557 20 30 JJEDRM Cc1c(F)c(C(F)(F)F)ccc1C(=O)N1CC[C@H](c2ccccc2)[C@H]([N-]C(=O)C(F)(F)F)C1 ZINC001453677331 1067321515 /nfs/dbraw/zinc/32/15/15/1067321515.db2.gz BKFORTILCXLZQN-NVXWUHKLSA-N -1 0 476.392 4.830 20 30 JJEDRM CN1CCCCC/C1=N/S(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001461739532 1067928571 /nfs/dbraw/zinc/92/85/71/1067928571.db2.gz XZIIWDUUDNYMEE-CLCOLTQESA-N -1 0 456.395 4.904 20 30 JJEDRM O=S(=O)([N-][C@@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1F ZINC001463487454 1068417193 /nfs/dbraw/zinc/41/71/93/1068417193.db2.gz ZQZWPBFFMDGYQJ-JTQLQIEISA-N -1 0 450.763 4.865 20 30 JJEDRM N#C[C@@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC001443532780 1066325008 /nfs/dbraw/zinc/32/50/08/1066325008.db2.gz HGJXOJJGVRRIHB-CQSZACIVSA-N -1 0 454.330 4.610 20 30 JJEDRM C[C@]1(C#N)CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 ZINC001546084616 1066678230 /nfs/dbraw/zinc/67/82/30/1066678230.db2.gz OMHUAZUPLMZSCA-HXUWFJFHSA-N -1 0 452.363 4.560 20 30 JJEDRM C=CCN(CCc1ccco1)C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1 ZINC001446879775 1066752440 /nfs/dbraw/zinc/75/24/40/1066752440.db2.gz NTAXUGKEOZJUDM-UHFFFAOYSA-N -1 0 450.969 4.666 20 30 JJEDRM C#C[C@@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(Cl)cc2Cl)C1 ZINC001457892915 1066937657 /nfs/dbraw/zinc/93/76/57/1066937657.db2.gz FYWJDZXQKBERBF-OAHLLOKOSA-N -1 0 451.375 4.588 20 30 JJEDRM N#CCCC[C@@H](NC(=O)Cc1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1 ZINC001450279965 1067068639 /nfs/dbraw/zinc/06/86/39/1067068639.db2.gz ZDCXLKXOONPNKO-OAQYLSRUSA-N -1 0 453.589 4.643 20 30 JJEDRM CCc1c([O-])nc(SCc2ccc(C#N)cc2Br)n(-c2ccccc2C)c1=O ZINC001458951543 1067206291 /nfs/dbraw/zinc/20/62/91/1067206291.db2.gz XUMRBCHQADPPMA-UHFFFAOYSA-N -1 0 456.365 4.735 20 30 JJEDRM C#C[C@H](NC(=O)c1cccc(NS(=O)(=O)c2ccc(Cl)c(Cl)c2)c1)c1ccccc1 ZINC001452199761 1067213696 /nfs/dbraw/zinc/21/36/96/1067213696.db2.gz GIWIPPAAKCSKES-NRFANRHFSA-N -1 0 459.354 4.899 20 30 JJEDRM N#Cc1ccc(Oc2cccc(C(=O)Nc3cc(F)cc(C[N-]C(=O)C(F)(F)F)c3)c2)cc1 ZINC001462005598 1067978723 /nfs/dbraw/zinc/97/87/23/1067978723.db2.gz ADWSPSRNTYUOGA-UHFFFAOYSA-N -1 0 457.383 4.920 20 30 JJEDRM O=C([N-][C@H]1CN(Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001462414821 1068069898 /nfs/dbraw/zinc/06/98/98/1068069898.db2.gz QZNNAJHKHXTMLF-RDJZCZTQSA-N -1 0 464.381 4.603 20 30 JJEDRM O=S(=O)([N-][C@H](CC(F)(F)F)c1cccc(C(F)(F)F)c1)c1ccc(Cl)nc1F ZINC001463487458 1068417144 /nfs/dbraw/zinc/41/71/44/1068417144.db2.gz ZQZWPBFFMDGYQJ-SNVBAGLBSA-N -1 0 450.763 4.865 20 30 JJEDRM C=CCCC[C@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001546145724 1068688003 /nfs/dbraw/zinc/68/80/03/1068688003.db2.gz SJDAEBCEMWKBRE-ZDUSSCGKSA-N -1 0 457.415 4.786 20 30 JJEDRM N#Cc1cccc([C@H]([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)C(F)(F)F)c1 ZINC001464334614 1068710221 /nfs/dbraw/zinc/71/02/21/1068710221.db2.gz BPXSRBJXOICEFZ-SFHVURJKSA-N -1 0 458.408 4.670 20 30 JJEDRM CC(C)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCc2[n-]c(=O)c(C#N)cc2C1 ZINC001359943731 1064689070 /nfs/dbraw/zinc/68/90/70/1064689070.db2.gz GUSFXNWPFJFBHS-UHFFFAOYSA-N -1 0 474.609 4.736 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)N(Cc2ccccc2OC(F)(F)F)C2CCCC2)cc1C#N ZINC001359978034 1064754031 /nfs/dbraw/zinc/75/40/31/1064754031.db2.gz YBLDFXVHKHFDAT-UHFFFAOYSA-N -1 0 451.470 4.864 20 30 JJEDRM O=C([N-][C@@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2cccc(SC(F)(F)F)c2)C1)C(F)(F)F ZINC001437128042 1065511372 /nfs/dbraw/zinc/51/13/72/1065511372.db2.gz FCIWIKCIVKDHMA-KOLCDFICSA-N -1 0 468.341 4.513 20 30 JJEDRM C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001438210233 1065697019 /nfs/dbraw/zinc/69/70/19/1065697019.db2.gz VCFXBAHMJYEJIX-LLVKDONJSA-N -1 0 450.354 4.840 20 30 JJEDRM COc1ccc([N-]S(=O)(=O)c2cc(NC(=O)[C@@H]3C[C@H]3c3cccc(C#N)c3)ccc2Cl)cc1 ZINC001440756985 1065976954 /nfs/dbraw/zinc/97/69/54/1065976954.db2.gz QWVMYYWHDRWBQQ-LEWJYISDSA-N -1 0 481.961 4.763 20 30 JJEDRM C=CC[C@@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccncc1 ZINC001444209138 1066428936 /nfs/dbraw/zinc/42/89/36/1066428936.db2.gz IRLKECHJBNMFBW-HXUWFJFHSA-N -1 0 459.930 4.722 20 30 JJEDRM COc1ccc(-c2nc(SCc3nnc(-c4ccc(Cl)cc4)o3)[n-]c(=O)c2C#N)cc1 ZINC001458830342 1067161361 /nfs/dbraw/zinc/16/13/61/1067161361.db2.gz UVKGPVHQKHFREL-UHFFFAOYSA-N -1 0 451.895 4.725 20 30 JJEDRM O=C([N-][C@@H]1CN(C(=O)c2cccc(C(F)(F)F)c2F)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453678127 1067321401 /nfs/dbraw/zinc/32/14/01/1067321401.db2.gz FGPNUAAZPGWMPE-CZUORRHYSA-N -1 0 462.365 4.521 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C(F)(C(F)(F)F)C(F)(F)F)cc2)cc1C#N ZINC001437075632 1065506864 /nfs/dbraw/zinc/50/68/64/1065506864.db2.gz VKUYZCXELVNBGV-UHFFFAOYSA-N -1 0 453.339 4.922 20 30 JJEDRM CS(=O)(=O)[N-]c1cc2ccccc2cc1C(=O)Nc1cccc(Oc2ccc(C#N)cn2)c1 ZINC001360756970 1065818137 /nfs/dbraw/zinc/81/81/37/1065818137.db2.gz HDFRBJBDQKQSBD-UHFFFAOYSA-N -1 0 458.499 4.523 20 30 JJEDRM CCCc1c(NC(=O)c2c[nH]c(=NC(=O)OC(C)(C)C)s2)cnn1-c1cccc(C#N)c1 ZINC001447954838 1066881796 /nfs/dbraw/zinc/88/17/96/1066881796.db2.gz JAYFYXGNTVYQRF-UHFFFAOYSA-N -1 0 452.540 4.752 20 30 JJEDRM COc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3cc(C#N)ccc3C)ccc2Cl)cc1 ZINC001457679060 1066895905 /nfs/dbraw/zinc/89/59/05/1066895905.db2.gz BYHIPEURCMKKHJ-UHFFFAOYSA-N -1 0 455.923 4.582 20 30 JJEDRM C#C[C@H]1CCCN(C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C)c3)c(Cl)cc2Cl)C1 ZINC001457892914 1066937621 /nfs/dbraw/zinc/93/76/21/1066937621.db2.gz FYWJDZXQKBERBF-HNNXBMFYSA-N -1 0 451.375 4.588 20 30 JJEDRM N#Cc1nc(NC(=O)CCc2c3cc(Br)ccc3[nH]c2-c2ccccc2)[n-]c1C#N ZINC001452529101 1067232050 /nfs/dbraw/zinc/23/20/50/1067232050.db2.gz BDWXXSBEPMFWBO-UHFFFAOYSA-N -1 0 459.307 4.635 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)N[C@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)cc1C#N ZINC001459976493 1067512537 /nfs/dbraw/zinc/51/25/37/1067512537.db2.gz RDXUHPZHUMRRAI-CQSZACIVSA-N -1 0 455.754 4.703 20 30 JJEDRM O=C([N-][C@H]1CN(Cc2c(F)c(F)c(F)c(F)c2F)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001460393556 1067625285 /nfs/dbraw/zinc/62/52/85/1067625285.db2.gz QVJZGVARIJAGCU-AAEUAGOBSA-N -1 0 470.335 4.558 20 30 JJEDRM C/C(=C/C(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001461573985 1067891830 /nfs/dbraw/zinc/89/18/30/1067891830.db2.gz HVUIRFMFROVPDH-HLVYMJRYSA-N -1 0 476.339 4.709 20 30 JJEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2cccc(COc3ccc(CC#N)cc3)c2)n1 ZINC001464270808 1068683315 /nfs/dbraw/zinc/68/33/15/1068683315.db2.gz KTKDHPNCKHKZDR-UHFFFAOYSA-N -1 0 456.477 4.923 20 30 JJEDRM C=CCCC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1 ZINC001546145723 1068687441 /nfs/dbraw/zinc/68/74/41/1068687441.db2.gz SJDAEBCEMWKBRE-CYBMUJFWSA-N -1 0 457.415 4.786 20 30 JJEDRM C[C@H](c1ccc(C(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1)C(F)(F)F ZINC001437707642 1065594666 /nfs/dbraw/zinc/59/46/66/1065594666.db2.gz YRSWJYMQCRCQSS-ICCXJUOJSA-N -1 0 464.328 4.566 20 30 JJEDRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)N(C)Cc2cccc(C#N)c2)ccc1Cl ZINC001441174751 1066011657 /nfs/dbraw/zinc/01/16/57/1066011657.db2.gz HDRWNDPPCWAXQQ-UHFFFAOYSA-N -1 0 453.951 4.593 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)NCc3cc(C)n(-c4cccc(C)c4)c3C)cc2[n-]c1=S ZINC001454624922 1066310177 /nfs/dbraw/zinc/31/01/77/1066310177.db2.gz NYAZREVBWJFDDH-UHFFFAOYSA-N -1 0 458.587 4.517 20 30 JJEDRM N#Cc1ccc(C(=O)Nc2nc(-c3ccc(OC(F)F)cc3OC(F)F)cs2)cc1[O-] ZINC001443511616 1066321446 /nfs/dbraw/zinc/32/14/46/1066321446.db2.gz UCOFPBNLYPRVGS-UHFFFAOYSA-N -1 0 453.373 4.842 20 30 JJEDRM C=CC[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1)c1ccncc1 ZINC001444209134 1066429062 /nfs/dbraw/zinc/42/90/62/1066429062.db2.gz IRLKECHJBNMFBW-FQEVSTJZSA-N -1 0 459.930 4.722 20 30 JJEDRM Cc1nc(-c2ccccc2Br)sc1[C@@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001445679358 1066601146 /nfs/dbraw/zinc/60/11/46/1066601146.db2.gz OOWWRCVTGIWXNV-LLVKDONJSA-N -1 0 457.353 4.653 20 30 JJEDRM C=CC[C@@H](Cc1ccccc1)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001451328987 1067160190 /nfs/dbraw/zinc/16/01/90/1067160190.db2.gz MFNVKUGKKXGXBO-SFHVURJKSA-N -1 0 456.514 4.683 20 30 JJEDRM O=S(=O)([N-][C@H](c1c(F)cccc1F)C(F)(F)F)c1c(F)cccc1OC(F)(F)F ZINC001463387930 1068380891 /nfs/dbraw/zinc/38/08/91/1068380891.db2.gz JJLXYTSAZXZMQY-CYBMUJFWSA-N -1 0 453.282 4.584 20 30 JJEDRM C=C[C@@H](CC)CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001464183217 1068646155 /nfs/dbraw/zinc/64/61/55/1068646155.db2.gz WAVLLLGNWLKHRP-ZDUSSCGKSA-N -1 0 455.349 4.930 20 30 JJEDRM C=C[C@H](CC)CC(=O)Nc1ccc(F)c(S(=O)(=O)[N-]c2ccc(Br)cc2)c1 ZINC001464183211 1068646259 /nfs/dbraw/zinc/64/62/59/1068646259.db2.gz WAVLLLGNWLKHRP-CYBMUJFWSA-N -1 0 455.349 4.930 20 30 JJEDRM N#Cc1cccc([C@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C(F)(F)F)c1 ZINC001464336475 1068710621 /nfs/dbraw/zinc/71/06/21/1068710621.db2.gz HKHGORCHUFKLEB-AWEZNQCLSA-N -1 0 453.667 4.556 20 30 JJEDRM Cc1cc(F)ccc1-n1cc([O-])c(C(=O)Nc2ccccc2COc2ccc(CC#N)cc2)n1 ZINC001464352835 1068716604 /nfs/dbraw/zinc/71/66/04/1068716604.db2.gz WEZNBZXMZFPBND-UHFFFAOYSA-N -1 0 456.477 4.923 20 30 JJEDRM C[C@@H](Oc1cccc(Cl)c1)c1nnc(N2CCc3[n-]c(=O)c(C#N)cc3C2)n1CCC(C)(F)F ZINC001360758466 1065825128 /nfs/dbraw/zinc/82/51/28/1065825128.db2.gz SKRZVXBCHMQVNH-CQSZACIVSA-N -1 0 488.926 4.652 20 30 JJEDRM Cc1ccc(F)c(-n2cc([O-])c(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)n2)c1 ZINC001441797081 1066070232 /nfs/dbraw/zinc/07/02/32/1066070232.db2.gz HYUOHWZHPXLJNO-UHFFFAOYSA-N -1 0 458.468 4.879 20 30 JJEDRM CC(C)Oc1ccc(C#N)cc1NC(=O)CCCCCn1c(=O)c2ccccc2[n-]c1=S ZINC001442266170 1066110780 /nfs/dbraw/zinc/11/07/80/1066110780.db2.gz PCOCIFBWYNTXPD-UHFFFAOYSA-N -1 0 450.564 4.543 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@H](c4ccc(Cl)cc4)C3(C)C)cc2[n-]c1=S ZINC001456072942 1066503102 /nfs/dbraw/zinc/50/31/02/1066503102.db2.gz BPCVBTVDTWQFGF-LJQANCHMSA-N -1 0 453.995 4.933 20 30 JJEDRM C=CC[C@H](Cc1ccccc1)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1 ZINC001451328985 1067160231 /nfs/dbraw/zinc/16/02/31/1067160231.db2.gz MFNVKUGKKXGXBO-GOSISDBHSA-N -1 0 456.514 4.683 20 30 JJEDRM O=C([N-][C@@H]1CN(C(=O)c2ccc(F)cc2C(F)(F)F)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453685750 1067322232 /nfs/dbraw/zinc/32/22/32/1067322232.db2.gz TXVKDGHNGHXABZ-RHSMWYFYSA-N -1 0 462.365 4.521 20 30 JJEDRM O=C(CN[C@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[N-]CC(F)(F)F ZINC001459806657 1067431525 /nfs/dbraw/zinc/43/15/25/1067431525.db2.gz FVLXASBAVYKTKY-SNVBAGLBSA-N -1 0 450.223 4.596 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)N[C@@H](c2c[nH]c3ccccc32)C(Cl)(Cl)Cl)cc1C#N ZINC001459976489 1067512682 /nfs/dbraw/zinc/51/26/82/1067512682.db2.gz RDXUHPZHUMRRAI-AWEZNQCLSA-N -1 0 455.754 4.703 20 30 JJEDRM C[C@H](CN1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001462379941 1068062973 /nfs/dbraw/zinc/06/29/73/1068062973.db2.gz KOXPZWKFYYGRCE-HONMWMINSA-N -1 0 450.345 4.883 20 30 JJEDRM Cc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2ccc(OCC#N)cc2)ccc1Cl ZINC001463546055 1068437328 /nfs/dbraw/zinc/43/73/28/1068437328.db2.gz UIZMJDVSRFYCLB-UHFFFAOYSA-N -1 0 455.923 4.604 20 30 JJEDRM Cc1ccc(C(=O)N2CC[C@@H](c3cccc(F)c3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1C(F)(F)F ZINC001437476066 1065559172 /nfs/dbraw/zinc/55/91/72/1065559172.db2.gz PLSYQRJTTBYJDZ-WMZOPIPTSA-N -1 0 476.392 4.830 20 30 JJEDRM C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1 ZINC001438210235 1065696968 /nfs/dbraw/zinc/69/69/68/1065696968.db2.gz VCFXBAHMJYEJIX-NSHDSACASA-N -1 0 450.354 4.840 20 30 JJEDRM C[C@@]1(C#N)CCCN(C(=O)c2cccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)c2)C1 ZINC001546084615 1066678368 /nfs/dbraw/zinc/67/83/68/1066678368.db2.gz OMHUAZUPLMZSCA-FQEVSTJZSA-N -1 0 452.363 4.560 20 30 JJEDRM N#Cc1ccc([O-])c(NC(=O)CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)c1 ZINC001447047318 1066769052 /nfs/dbraw/zinc/76/90/52/1066769052.db2.gz FPBKOHRXBCMEFG-UHFFFAOYSA-N -1 0 455.514 4.911 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N(C)c3ccc(OCc4ccccc4)cc3)cc2[n-]c1=S ZINC001447791430 1066858295 /nfs/dbraw/zinc/85/82/95/1066858295.db2.gz LOEUGJMNGFEOKF-UHFFFAOYSA-N -1 0 457.555 4.727 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(Oc4ccccc4)c(C#N)c3)cc2[n-]c1=S ZINC001448122326 1066902051 /nfs/dbraw/zinc/90/20/51/1066902051.db2.gz TWUUVRGQBZMKIR-UHFFFAOYSA-N -1 0 454.511 4.787 20 30 JJEDRM C[C@H](C#N)CN(C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1)C1CC1 ZINC001457736820 1066907345 /nfs/dbraw/zinc/90/73/45/1066907345.db2.gz RBYZQPOIUBWVFF-CYBMUJFWSA-N -1 0 452.363 4.558 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc1C#N ZINC001461414087 1067850105 /nfs/dbraw/zinc/85/01/05/1067850105.db2.gz BGJJODMQLGRETD-FQEVSTJZSA-N -1 0 451.470 4.517 20 30 JJEDRM C/C(=C\C(=O)N1C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001461573976 1067891725 /nfs/dbraw/zinc/89/17/25/1067891725.db2.gz HVUIRFMFROVPDH-DBSLZISTSA-N -1 0 476.339 4.709 20 30 JJEDRM CSc1cccc([C@H](NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c2ccc(F)c(F)c2)c1 ZINC001435349358 1064716222 /nfs/dbraw/zinc/71/62/22/1064716222.db2.gz COHOPHJCAIAGMI-IBGZPJMESA-N -1 0 457.527 4.900 20 30 JJEDRM CCOC(=O)c1onc(-c2ccccc2)c1[N-]C(=O)c1ccc(COc2ccc(C#N)cc2)o1 ZINC001436247500 1065274176 /nfs/dbraw/zinc/27/41/76/1065274176.db2.gz RORCOOATFZBXPA-UHFFFAOYSA-N -1 0 457.442 4.814 20 30 JJEDRM O=C([N-]C[C@@H]1CCCC1(F)F)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001436310120 1065293967 /nfs/dbraw/zinc/29/39/67/1065293967.db2.gz SZUVAVDHJJYORY-VIFPVBQESA-N -1 0 452.164 4.991 20 30 JJEDRM N#Cc1ccccc1Oc1ccc(NC(=O)c2cccc(I)c2[O-])cc1 ZINC001442235457 1066105854 /nfs/dbraw/zinc/10/58/54/1066105854.db2.gz PIYVKHWKINVMCA-UHFFFAOYSA-N -1 0 456.239 4.913 20 30 JJEDRM C#CCOc1cccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccccc3C)c2)c1 ZINC001443941184 1066387132 /nfs/dbraw/zinc/38/71/32/1066387132.db2.gz GDHWLTXGRAIRTI-UHFFFAOYSA-N -1 0 454.935 4.714 20 30 JJEDRM C#CCOc1ccccc1NC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(Cl)c2)c1 ZINC001447866889 1066871722 /nfs/dbraw/zinc/87/17/22/1066871722.db2.gz NRMXFYKFYZGOOL-UHFFFAOYSA-N -1 0 454.935 4.714 20 30 JJEDRM C=CCCc1ccccc1NC(=O)c1cc(S(=O)(=O)Nc2ccc(OC)cc2)ccc1[O-] ZINC001448238788 1066914071 /nfs/dbraw/zinc/91/40/71/1066914071.db2.gz WFRDGEFXFYBXQS-UHFFFAOYSA-N -1 0 452.532 4.573 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)NC2(c3noc(C4CCCCC4)n3)CCCCCC2)cc1C#N ZINC001457988390 1066953293 /nfs/dbraw/zinc/95/32/93/1066953293.db2.gz KIJOYJCAVHUUDJ-UHFFFAOYSA-N -1 0 455.584 4.791 20 30 JJEDRM C#Cc1ccc(CNC(=O)c2ccc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)cc2)cc1 ZINC001449803917 1067030313 /nfs/dbraw/zinc/03/03/13/1067030313.db2.gz WPPQARSSEQBITI-UHFFFAOYSA-N -1 0 459.354 4.706 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)N2CCC[C@]2(C)Cc2ccc(OC(F)(F)F)cc2)cc1C#N ZINC001461414088 1067850020 /nfs/dbraw/zinc/85/00/20/1067850020.db2.gz BGJJODMQLGRETD-HXUWFJFHSA-N -1 0 451.470 4.517 20 30 JJEDRM N#Cc1cccc([C@@H]([N-]S(=O)(=O)C2=Cc3ccc(OC(F)F)cc3CC2)C(F)(F)F)c1 ZINC001464334416 1068710203 /nfs/dbraw/zinc/71/02/03/1068710203.db2.gz BPXSRBJXOICEFZ-GOSISDBHSA-N -1 0 458.408 4.670 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(NC(=O)c3cccc(Cl)c3)c(F)c2)cc1C#N ZINC001435805749 1065001559 /nfs/dbraw/zinc/00/15/59/1065001559.db2.gz FYTQARZDRQXIKH-UHFFFAOYSA-N -1 0 456.886 4.678 20 30 JJEDRM O=C([N-]C[C@H]1CCCC1(F)F)C(F)(F)c1ccc(OC(F)(F)F)c(Br)c1 ZINC001436310119 1065294011 /nfs/dbraw/zinc/29/40/11/1065294011.db2.gz SZUVAVDHJJYORY-SECBINFHSA-N -1 0 452.164 4.991 20 30 JJEDRM C[C@H](Oc1cccc(Cl)c1)c1nnc(N2CCc3[n-]c(=O)c(C#N)cc3C2)n1CCC(C)(F)F ZINC001360758465 1065825056 /nfs/dbraw/zinc/82/50/56/1065825056.db2.gz SKRZVXBCHMQVNH-AWEZNQCLSA-N -1 0 488.926 4.652 20 30 JJEDRM CSc1cccc([C@@H](NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c2cc(F)ccc2F)c1 ZINC001361067900 1066307811 /nfs/dbraw/zinc/30/78/11/1066307811.db2.gz DWHGTIRTWJGIGY-LJQANCHMSA-N -1 0 457.527 4.900 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](c4cccc(Cl)c4)C3(C)C)cc2[n-]c1=S ZINC001455407616 1066387347 /nfs/dbraw/zinc/38/73/47/1066387347.db2.gz SPJILQSPRRGDAJ-IBGZPJMESA-N -1 0 453.995 4.933 20 30 JJEDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNc1ccc(C#N)c(Br)c1F ZINC001458381508 1067046899 /nfs/dbraw/zinc/04/68/99/1067046899.db2.gz AOLUTOUGMIOHCL-KRWDZBQOSA-N -1 0 457.347 4.995 20 30 JJEDRM CCc1[n-]n(Cc2ccccc2C)c(=O)c1CCNc1ccc(C#N)c(Br)c1F ZINC001458381513 1067047065 /nfs/dbraw/zinc/04/70/65/1067047065.db2.gz AOLUTOUGMIOHCL-QGZVFWFLSA-N -1 0 457.347 4.995 20 30 JJEDRM C[C@@H](CN1C[C@H]([N-]C(=O)C(F)(F)F)CC[C@H]1C(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC001462379939 1068063030 /nfs/dbraw/zinc/06/30/30/1068063030.db2.gz KOXPZWKFYYGRCE-GDLCADMTSA-N -1 0 450.345 4.883 20 30 JJEDRM COc1ccc(NC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1S(=O)(=O)[N-]c1ccc(Cl)cc1 ZINC001440599214 1065953867 /nfs/dbraw/zinc/95/38/67/1065953867.db2.gz YZBPKDRPBDHYFP-LEWJYISDSA-N -1 0 481.961 4.763 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)Nc3ccc(Nc4cccc(OC)c4)cc3)cc2[n-]c1=S ZINC001454103046 1066245295 /nfs/dbraw/zinc/24/52/95/1066245295.db2.gz JAWWKOJZZOLIRP-UHFFFAOYSA-N -1 0 458.543 4.876 20 30 JJEDRM C[C@](C#N)(NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1)C1CCCCC1 ZINC001444238735 1066432467 /nfs/dbraw/zinc/43/24/67/1066432467.db2.gz ZNTAJAGNMPQLDT-HXUWFJFHSA-N -1 0 452.001 4.795 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N3CC[C@@H](c4ccc(Cl)cc4)C3(C)C)cc2[n-]c1=S ZINC001456072936 1066503199 /nfs/dbraw/zinc/50/31/99/1066503199.db2.gz BPCVBTVDTWQFGF-IBGZPJMESA-N -1 0 453.995 4.933 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)Nc2nc(-c3cc(Br)cs3)cs2)cc1C#N ZINC001456431576 1066583441 /nfs/dbraw/zinc/58/34/41/1066583441.db2.gz NZRYZBUVNOJFPM-UHFFFAOYSA-N -1 0 453.368 4.581 20 30 JJEDRM C=CCCC[C@@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC001446807522 1066742955 /nfs/dbraw/zinc/74/29/55/1066742955.db2.gz LFOBPZJZVQUSDE-OAHLLOKOSA-N -1 0 451.386 4.725 20 30 JJEDRM N#Cc1ccc(N2CC[C@@H](c3ccc(F)cc3)[C@@H]([N-]C(=O)C(F)(F)F)C2)cc1Br ZINC001458474890 1067071503 /nfs/dbraw/zinc/07/15/03/1067071503.db2.gz CQFXKQOHUCURMX-WMZOPIPTSA-N -1 0 470.264 4.501 20 30 JJEDRM C#C[C@@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1)c1ccc(Cl)cc1 ZINC001450839793 1067130347 /nfs/dbraw/zinc/13/03/47/1067130347.db2.gz DOSVLAHRJQEXCH-OAQYLSRUSA-N -1 0 456.926 4.693 20 30 JJEDRM C=CCCC1(CNC(=O)c2ccc([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc2)CCCC1 ZINC001453344911 1067299642 /nfs/dbraw/zinc/29/96/42/1067299642.db2.gz INJVEWQSGBLSKF-UHFFFAOYSA-N -1 0 457.552 4.652 20 30 JJEDRM CN1CCCCC/C1=N\S(=O)(=O)c1ccc(NCc2cc(Cl)cc(Cl)c2[O-])cc1 ZINC001461739542 1067928496 /nfs/dbraw/zinc/92/84/96/1067928496.db2.gz XZIIWDUUDNYMEE-LYBHJNIJSA-N -1 0 456.395 4.904 20 30 JJEDRM O=S(=O)([N-][C@H](c1ccccc1C(F)(F)F)C(F)(F)F)c1cccnc1C(F)(F)F ZINC001463506493 1068422580 /nfs/dbraw/zinc/42/25/80/1068422580.db2.gz UCFNSJKFEOQMAP-LLVKDONJSA-N -1 0 452.298 4.701 20 30 JJEDRM N#Cc1cc(F)c(S(=O)(=O)[N-][C@@H](CC2CC2)c2cc(F)cc(Br)c2)c(F)c1 ZINC001463559445 1068442489 /nfs/dbraw/zinc/44/24/89/1068442489.db2.gz KKFGCEVWDUIEMR-KRWDZBQOSA-N -1 0 459.287 4.558 20 30 JJEDRM CSc1cccc([C@@H](NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c2ccc(F)c(F)c2)c1 ZINC001435349359 1064716002 /nfs/dbraw/zinc/71/60/02/1064716002.db2.gz COHOPHJCAIAGMI-LJQANCHMSA-N -1 0 457.527 4.900 20 30 JJEDRM N#C[C@H](NC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1cccc(C(F)(F)F)c1 ZINC001443532773 1066325055 /nfs/dbraw/zinc/32/50/55/1066325055.db2.gz HGJXOJJGVRRIHB-AWEZNQCLSA-N -1 0 454.330 4.610 20 30 JJEDRM O=C(Nc1ncc(C([O-])(C(F)(F)F)C(F)(F)F)s1)c1ccccc1OC(F)(F)F ZINC001457528926 1066852880 /nfs/dbraw/zinc/85/28/80/1066852880.db2.gz YAIYMCHPMWNBOQ-UHFFFAOYSA-N -1 0 454.270 4.606 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N3CCC(F)(c4ccc(Cl)cc4)CC3)cc2[n-]c1=S ZINC001457776002 1066917362 /nfs/dbraw/zinc/91/73/62/1066917362.db2.gz WMRCYWIBHHBXSY-UHFFFAOYSA-N -1 0 457.958 4.626 20 30 JJEDRM N#Cc1cnc2c(Cl)cccc2c1N1CC[C@@H](c2ccc(F)cc2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001458480233 1067072892 /nfs/dbraw/zinc/07/28/92/1067072892.db2.gz UYHCAEVQASWUEE-LPHOPBHVSA-N -1 0 476.861 4.940 20 30 JJEDRM C#C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1)c1ccc(Cl)cc1 ZINC001450839788 1067130318 /nfs/dbraw/zinc/13/03/18/1067130318.db2.gz DOSVLAHRJQEXCH-NRFANRHFSA-N -1 0 456.926 4.693 20 30 JJEDRM O=C([N-][C@@H]1CN(C(=O)c2c(F)cc(C(F)(F)F)cc2F)CC[C@@H]1c1ccccc1)C(F)(F)F ZINC001453686688 1067322386 /nfs/dbraw/zinc/32/23/86/1067322386.db2.gz WTKIZNUEKWQLIZ-CZUORRHYSA-N -1 0 480.355 4.660 20 30 JJEDRM N#Cc1cccc(-c2cc(C(=O)[N-]c3nnc(Cc4ccc(C(F)(F)F)cc4)s3)on2)c1 ZINC001460921877 1067748357 /nfs/dbraw/zinc/74/83/57/1067748357.db2.gz MFCZXSVTWRZAIQ-UHFFFAOYSA-N -1 0 455.421 4.927 20 30 JJEDRM O=S(=O)([N-][C@@H](c1c(F)cccc1F)C(F)(F)F)c1c(F)cccc1OC(F)(F)F ZINC001463387942 1068380791 /nfs/dbraw/zinc/38/07/91/1068380791.db2.gz JJLXYTSAZXZMQY-ZDUSSCGKSA-N -1 0 453.282 4.584 20 30 JJEDRM O=C([N-][C@H]1CN(C(=O)c2csc(C(F)(F)F)c2)CC[C@H]1c1cccc(F)c1)C(F)(F)F ZINC001437480804 1065560791 /nfs/dbraw/zinc/56/07/91/1065560791.db2.gz WYXFNDZKTPCFLE-KBPBESRZSA-N -1 0 468.394 4.583 20 30 JJEDRM CC(C)(C)c1ccc(C(F)(F)C(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1 ZINC001437703414 1065593810 /nfs/dbraw/zinc/59/38/10/1065593810.db2.gz KVHCXLKAWYNYSF-KBPBESRZSA-N -1 0 474.392 4.676 20 30 JJEDRM CC(C)(C(=O)Nc1cc(F)cc(C[N-]C(=O)C(F)(F)F)c1)c1cccc(C(F)(F)F)c1 ZINC001438209158 1065696922 /nfs/dbraw/zinc/69/69/22/1065696922.db2.gz ONUVJZIWEHIKKU-UHFFFAOYSA-N -1 0 450.354 4.939 20 30 JJEDRM C=CC(C)(C)CCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(C)c(C)c([N+](=O)[O-])c1 ZINC001455476340 1066395814 /nfs/dbraw/zinc/39/58/14/1066395814.db2.gz KKCJHVLITZUGNN-UHFFFAOYSA-N -1 0 459.568 4.735 20 30 JJEDRM C=CCOc1ccccc1CNC(=O)c1ccc(Cl)cc1[N-]S(=O)(=O)c1ccccc1 ZINC001444130721 1066411902 /nfs/dbraw/zinc/41/19/02/1066411902.db2.gz CHKJDDYBQGJSQE-UHFFFAOYSA-N -1 0 456.951 4.636 20 30 JJEDRM O=C(Nc1ccccc1C#Cc1ccccc1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001445423729 1066569896 /nfs/dbraw/zinc/56/98/96/1066569896.db2.gz FCMBPJPARBTSAU-UHFFFAOYSA-N -1 0 459.552 4.596 20 30 JJEDRM Cc1nc(-c2ccccc2Br)sc1[C@H](C)NC(=O)c1[n-]c(=O)c(C#N)cc1C ZINC001445679388 1066601746 /nfs/dbraw/zinc/60/17/46/1066601746.db2.gz OOWWRCVTGIWXNV-NSHDSACASA-N -1 0 457.353 4.653 20 30 JJEDRM COc1ccccc1[N-]S(=O)(=O)c1cc(C(=O)Nc2cc(C)cc(C#N)c2)ccc1Cl ZINC001457854995 1066932369 /nfs/dbraw/zinc/93/23/69/1066932369.db2.gz AZFVBSIXJOJNMG-UHFFFAOYSA-N -1 0 455.923 4.582 20 30 JJEDRM N#Cc1ccc(Br)cc1N1CC[C@@H](c2cccc(F)c2)[C@@H]([N-]C(=O)C(F)(F)F)C1 ZINC001458481697 1067073066 /nfs/dbraw/zinc/07/30/66/1067073066.db2.gz KCLYUGDPMIMXEO-IRXDYDNUSA-N -1 0 470.264 4.501 20 30 JJEDRM Cc1cc(C)c(C)c(S(=O)(=O)[N-]c2ccccc2C(=O)N2Cc3cccc(C#N)c3C2)c1C ZINC001452697517 1067245490 /nfs/dbraw/zinc/24/54/90/1067245490.db2.gz YUQVHJRBDFXBTN-UHFFFAOYSA-N -1 0 459.571 4.749 20 30 JJEDRM O=C(CN[C@@H](c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(F)(F)F)[N-]CC(F)(F)F ZINC001459806655 1067431534 /nfs/dbraw/zinc/43/15/34/1067431534.db2.gz FVLXASBAVYKTKY-JTQLQIEISA-N -1 0 450.223 4.596 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N(Cc3ccccc3)Cc3ccc(F)cc3)cc2[n-]c1=S ZINC001464531568 1068774492 /nfs/dbraw/zinc/77/44/92/1068774492.db2.gz OBZIEUGKWNVDCS-UHFFFAOYSA-N -1 0 459.546 4.853 20 30 JJEDRM C=CCN(Cc1ccc(Cl)s1)C(=O)c1nn(-c2cc(Cl)ccc2[N+](=O)[O-])cc1[O-] ZINC001440410031 1065938992 /nfs/dbraw/zinc/93/89/92/1065938992.db2.gz XCRXYJZVWRZQAX-UHFFFAOYSA-N -1 0 453.307 4.683 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N(CCc3ccc(C)cc3)Cc3ccco3)cc2[n-]c1=S ZINC001445040768 1066532171 /nfs/dbraw/zinc/53/21/71/1066532171.db2.gz RYRVYYMGBCGIFM-UHFFFAOYSA-N -1 0 459.571 4.658 20 30 JJEDRM C=CCCC[C@H](C)NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)cc1 ZINC001446807516 1066742935 /nfs/dbraw/zinc/74/29/35/1066742935.db2.gz LFOBPZJZVQUSDE-HNNXBMFYSA-N -1 0 451.386 4.725 20 30 JJEDRM C#CC[C@@H]1CCCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001452182583 1067213098 /nfs/dbraw/zinc/21/30/98/1067213098.db2.gz SLGIUFBMGDLYGD-OAHLLOKOSA-N -1 0 451.375 4.670 20 30 JJEDRM O=C([N-][C@H]1CC[C@@H](C(F)(F)F)N(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)C1)C(F)(F)F ZINC001461579481 1067893190 /nfs/dbraw/zinc/89/31/90/1067893190.db2.gz XOCPPKVAKGXSOW-YOEHRIQHSA-N -1 0 478.364 4.832 20 30 JJEDRM C#Cc1ccccc1CC(=O)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1 ZINC001463560313 1068443525 /nfs/dbraw/zinc/44/35/25/1068443525.db2.gz LGWVNLVRINYYJU-UHFFFAOYSA-N -1 0 459.354 4.957 20 30 JJEDRM Cc1cc(C#N)c(=O)[n-]c1C(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1 ZINC001463586077 1068457502 /nfs/dbraw/zinc/45/75/02/1068457502.db2.gz KIEQMEXEAODCOQ-UHFFFAOYSA-N -1 0 457.921 4.746 20 30 JJEDRM O=C(Nc1cccc(C#Cc2ccccc2)c1)c1ccc(S(=O)(=O)[N-]c2nccs2)cc1 ZINC001463908601 1068562241 /nfs/dbraw/zinc/56/22/41/1068562241.db2.gz JRUKXDDALBOVDL-UHFFFAOYSA-N -1 0 459.552 4.596 20 30 JJEDRM CC(C)CCOCCCn1c(-c2cccc(Cl)c2)nnc1N1CCc2[n-]c(=O)c(C#N)cc2C1 ZINC001359958895 1064729769 /nfs/dbraw/zinc/72/97/69/1064729769.db2.gz LINJIAHCHNHMPF-UHFFFAOYSA-N -1 0 481.000 4.586 20 30 JJEDRM C[C@@H](c1ccc(C(=O)N2C[C@@H]([N-]C(=O)C(F)(F)F)CC[C@H]2C(F)(F)F)cc1)C(F)(F)F ZINC001437707646 1065594646 /nfs/dbraw/zinc/59/46/46/1065594646.db2.gz YRSWJYMQCRCQSS-XDTLVQLUSA-N -1 0 464.328 4.566 20 30 JJEDRM CSc1cccc([C@H](NC(=O)c2cc(C#N)c(SC)[n-]c2=O)c2cc(F)ccc2F)c1 ZINC001361067899 1066307734 /nfs/dbraw/zinc/30/77/34/1066307734.db2.gz DWHGTIRTWJGIGY-IBGZPJMESA-N -1 0 457.527 4.900 20 30 JJEDRM CC(C)CCN(CCC#N)C(=O)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1 ZINC001443573844 1066330022 /nfs/dbraw/zinc/33/00/22/1066330022.db2.gz NAKZXOJFWWVXKL-UHFFFAOYSA-N -1 0 451.951 4.682 20 30 JJEDRM C=CCn1c(=O)c2ccc(C(=O)N(CCc3ccc(Cl)cc3)CC3CC3)cc2[n-]c1=S ZINC001443872974 1066378980 /nfs/dbraw/zinc/37/89/80/1066378980.db2.gz NXHGJBARLOMAPK-UHFFFAOYSA-N -1 0 453.995 4.620 20 30 JJEDRM CSc1[n-]c(=O)c(C(=O)Nc2ccc(C(=O)N3CCC[C@@H]3c3ccccc3)cc2)cc1C#N ZINC001456088415 1066507132 /nfs/dbraw/zinc/50/71/32/1066507132.db2.gz NHBGIJQHYKDYSC-OAQYLSRUSA-N -1 0 458.543 4.610 20 30 JJEDRM CCN(C[C@@H](C)C#N)C(=O)c1cc(S(=O)(=O)[N-]c2cccc(C)c2)c(Cl)cc1Cl ZINC001457572048 1066867191 /nfs/dbraw/zinc/86/71/91/1066867191.db2.gz DNRXDXYPKCVMMO-AWEZNQCLSA-N -1 0 454.379 4.724 20 30 JJEDRM C#CC[C@H]1CCCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)C1 ZINC001452182581 1067213146 /nfs/dbraw/zinc/21/31/46/1067213146.db2.gz SLGIUFBMGDLYGD-HNNXBMFYSA-N -1 0 451.375 4.670 20 30 JJEDRM O=C([N-][C@H]1CN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC[C@H]1c1ccc(F)cc1)C(F)(F)F ZINC001453129145 1067281878 /nfs/dbraw/zinc/28/18/78/1067281878.db2.gz MRMWETQKTHAARY-YOEHRIQHSA-N -1 0 480.355 4.660 20 30 JJEDRM N#Cc1cccc([C@@H]([N-]S(=O)(=O)c2ccc(Br)cc2Cl)C(F)(F)F)c1 ZINC001464336484 1068710682 /nfs/dbraw/zinc/71/06/82/1068710682.db2.gz HKHGORCHUFKLEB-CQSZACIVSA-N -1 0 453.667 4.556 20 30 JJEDRM C=CCNC(=O)c1ccc(NC(=O)c2ccsc2NC(=O)c2ccc(Cl)cc2[O-])cc1 ZINC001464352170 1068716278 /nfs/dbraw/zinc/71/62/78/1068716278.db2.gz ACHAIWRKLJZGRO-UHFFFAOYSA-N -1 0 455.923 4.528 20 30 JJEDRM N#CCCCn1cc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2ccccc2)c2ccccc21 ZINC001464506671 1068768062 /nfs/dbraw/zinc/76/80/62/1068768062.db2.gz LOUPVTKVLVHGFR-UHFFFAOYSA-N -1 0 458.543 4.998 20 30 JJEDRM