smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCOCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1c(F)cccc1Cl ZINC000247323130 729596286 /nfs/dbraw/zinc/59/62/86/729596286.db2.gz XAKIDELCSPXKGT-JHJVBQTASA-N 0 3 366.820 2.834 10 30 FFEEHN Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C ZINC000330115448 970403318 /nfs/dbraw/zinc/40/33/18/970403318.db2.gz FQBGVYWCCFKVBQ-HKUYNNGSSA-N 0 3 372.513 2.517 10 30 FFEEHN COc1ccc(CN2CCC[C@H](Cn3cncn3)C2)cc1OCCCC#N ZINC000128467885 508596756 /nfs/dbraw/zinc/59/67/56/508596756.db2.gz QGGHITUVNUUOOC-SFHVURJKSA-N 0 3 369.469 2.881 10 30 FFEEHN COc1ccccc1N(CCC#N)C(=O)[C@@H](C)N1CCCN(C2CC2)CC1 ZINC000172543696 510783469 /nfs/dbraw/zinc/78/34/69/510783469.db2.gz MHBSNTVPVRBBKX-QGZVFWFLSA-N 0 3 370.497 2.500 10 30 FFEEHN CCN1CCC[C@@H](CN(C)C(=O)c2sccc2C#N)[C@@H]1c1cnn(C)c1 ZINC000328635118 511901253 /nfs/dbraw/zinc/90/12/53/511901253.db2.gz UMKSBMWFNUXLFX-DOTOQJQBSA-N 0 3 371.510 2.898 10 30 FFEEHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000330180137 959232994 /nfs/dbraw/zinc/23/29/94/959232994.db2.gz NDNKODMSHHPKDB-SFHLNBCPSA-N 0 3 357.498 2.802 10 30 FFEEHN CC(C)CN1CCN(C(=O)N[C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329283717 967615805 /nfs/dbraw/zinc/61/58/05/967615805.db2.gz OCSAELCJDOZNDI-MRXNPFEDSA-N 0 3 361.534 2.683 10 30 FFEEHN Cc1nc(CN2CCCN(Cc3ccccc3C(C)(C)C#N)CC2)no1 ZINC000135198786 981261682 /nfs/dbraw/zinc/26/16/82/981261682.db2.gz DCFOBCOHIHFLRE-UHFFFAOYSA-N 0 3 353.470 2.887 10 30 FFEEHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000102120281 1005031039 /nfs/dbraw/zinc/03/10/39/1005031039.db2.gz VFALILBRAHYCRJ-CQSZACIVSA-N 0 3 353.334 2.873 10 30 FFEEHN Cc1nc(C[C@H]2CCCN(CCC(=O)Nc3sccc3C#N)C2)no1 ZINC000103150217 250135724 /nfs/dbraw/zinc/13/57/24/250135724.db2.gz XHOJEOKWSAYICK-CYBMUJFWSA-N 0 3 359.455 2.595 10 30 FFEEHN N#Cc1ccc(CN2CCCN(c3nccn4c3nnc4C3CC3)CC2)cc1 ZINC000302225078 258096572 /nfs/dbraw/zinc/09/65/72/258096572.db2.gz VBLGOMUVXFXFJK-UHFFFAOYSA-N 0 3 373.464 2.586 10 30 FFEEHN Cc1cnn(CCN[C@@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000113443266 508267922 /nfs/dbraw/zinc/26/79/22/508267922.db2.gz GDQAFSUXCIMEIM-SFHVURJKSA-N 0 3 353.470 2.733 10 30 FFEEHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)CSc1ccc(C#N)cc1 ZINC000103073049 508295278 /nfs/dbraw/zinc/29/52/78/508295278.db2.gz MRIGQFJEJLVUNZ-GOSISDBHSA-N 0 3 353.491 2.939 10 30 FFEEHN Cc1csc(C2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000156700193 508464679 /nfs/dbraw/zinc/46/46/79/508464679.db2.gz LQJPXQJRPSLIIE-QGZVFWFLSA-N 0 3 357.479 2.943 10 30 FFEEHN CN(C)C[C@@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000116784985 508561293 /nfs/dbraw/zinc/56/12/93/508561293.db2.gz YTENQHPTFDHMEU-HXUWFJFHSA-N 0 3 365.433 2.753 10 30 FFEEHN C[C@@H](C#N)Oc1ccc(CN(C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000245693647 510090563 /nfs/dbraw/zinc/09/05/63/510090563.db2.gz BXJUQEPJNGJBEJ-WMZOPIPTSA-N 0 3 351.454 2.868 10 30 FFEEHN C=CCN1CCC(NC(=O)N2CCC[C@H]2C[C@H](O)c2ccccc2)CC1 ZINC000174776626 510306152 /nfs/dbraw/zinc/30/61/52/510306152.db2.gz VGIYJOPUOMRESO-PMACEKPBSA-N 0 3 357.498 2.935 10 30 FFEEHN CCc1nc2n(n1)C[C@H](NCc1cccn1Cc1ccccc1C#N)CC2 ZINC000187836447 510463208 /nfs/dbraw/zinc/46/32/08/510463208.db2.gz QUBRZWCOQJOOMN-GOSISDBHSA-N 0 3 360.465 2.667 10 30 FFEEHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@@H](CN(C)C)c1ccccc1 ZINC000029257130 507771286 /nfs/dbraw/zinc/77/12/86/507771286.db2.gz PTUISNFPZQAWLK-FQEVSTJZSA-N 0 3 367.497 2.765 10 30 FFEEHN C[C@H]1CN2CCC[C@@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000113267260 508256094 /nfs/dbraw/zinc/25/60/94/508256094.db2.gz ROQXZASUVAHBSE-DLBZAZTESA-N 0 3 350.466 2.906 10 30 FFEEHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H](C)c1nnc2n1CCCC2)C(C)C ZINC000153258194 508565170 /nfs/dbraw/zinc/56/51/70/508565170.db2.gz RSXBTYGDDIEZPP-IRXDYDNUSA-N 0 3 374.533 2.673 10 30 FFEEHN COc1ccc([C@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000128514256 508603900 /nfs/dbraw/zinc/60/39/00/508603900.db2.gz UXCOWRRIGMIDDY-YOEHRIQHSA-N 0 3 356.422 2.666 10 30 FFEEHN CNC(=O)[C@H](NCc1cccc(OCc2cccc(C#N)c2)c1)C(C)C ZINC000178952318 509200242 /nfs/dbraw/zinc/20/02/42/509200242.db2.gz RDIDDLJDPMVLOH-HXUWFJFHSA-N 0 3 351.450 2.997 10 30 FFEEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C[C@H](O)c3ccc(C#N)cc3)C[C@@H]12 ZINC000248628951 509399936 /nfs/dbraw/zinc/39/99/36/509399936.db2.gz VWOKFLXVJVKQFT-MKXGPGLRSA-N 0 3 371.481 2.827 10 30 FFEEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000245944977 510222121 /nfs/dbraw/zinc/22/21/21/510222121.db2.gz NLKMKHXWCQIRFA-DDUYZKFLSA-N 0 3 371.529 2.975 10 30 FFEEHN N#Cc1cccc(NC(=O)CCN2C[C@@H](c3ccsc3)[C@H](CO)C2)c1 ZINC000188103277 510596227 /nfs/dbraw/zinc/59/62/27/510596227.db2.gz AAPILXWLPIPORS-WMZOPIPTSA-N 0 3 355.463 2.656 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000175339507 510597230 /nfs/dbraw/zinc/59/72/30/510597230.db2.gz HPHBYXDHVIBJPB-LJQANCHMSA-N 0 3 356.514 2.966 10 30 FFEEHN Cc1ccc(N(CCC#N)C(=O)CN2CCCN(C3CC3)CC2)cc1C ZINC000172347279 510682342 /nfs/dbraw/zinc/68/23/42/510682342.db2.gz HGAATHXDRBVOLA-UHFFFAOYSA-N 0 3 354.498 2.720 10 30 FFEEHN C[C@@H]1CN2CCC[C@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000247469876 510861951 /nfs/dbraw/zinc/86/19/51/510861951.db2.gz ROQXZASUVAHBSE-SJORKVTESA-N 0 3 350.466 2.906 10 30 FFEEHN C[C@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCn2ccnc2C1 ZINC000329025274 511969829 /nfs/dbraw/zinc/96/98/29/511969829.db2.gz VEHQMSPADOJEJY-QGZVFWFLSA-N 0 3 367.497 2.708 10 30 FFEEHN CCN1CCC[C@@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000052521807 507812032 /nfs/dbraw/zinc/81/20/32/507812032.db2.gz OLUWPONAVRJNGL-MRXNPFEDSA-N 0 3 353.388 2.840 10 30 FFEEHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@@H]1CCCn2nc(CC)nc21)C(C)C ZINC000087249989 508344172 /nfs/dbraw/zinc/34/41/72/508344172.db2.gz WBELGGYRBNGDHY-SJORKVTESA-N 0 3 374.533 2.673 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)NC[C@@H]2CCN(C)c3ccccc32)CC1 ZINC000106262277 508398488 /nfs/dbraw/zinc/39/84/88/508398488.db2.gz GZBILUUTSOUSMC-KRWDZBQOSA-N 0 3 356.514 2.950 10 30 FFEEHN N#CCCN(C(=O)CN[C@@H]1CCCC[C@H]1n1cccn1)c1ccccc1 ZINC000128418470 508589418 /nfs/dbraw/zinc/58/94/18/508589418.db2.gz UMCBCCPGVGJKTJ-RTBURBONSA-N 0 3 351.454 2.903 10 30 FFEEHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](Cn2nc(C)nc2C)C1 ZINC000157979840 508641067 /nfs/dbraw/zinc/64/10/67/508641067.db2.gz XOKAIEMNVILMIT-GOSISDBHSA-N 0 3 369.469 2.566 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000161456536 509118359 /nfs/dbraw/zinc/11/83/59/509118359.db2.gz LUPCBDRCIFUQMK-LBPRGKRZSA-N 0 3 370.419 2.690 10 30 FFEEHN C=CCc1cc(CN2CCCN(Cc3cnn(C)c3)CC2)cc(OC)c1O ZINC000121559044 509178520 /nfs/dbraw/zinc/17/85/20/509178520.db2.gz UEMZBSKADCJZGT-UHFFFAOYSA-N 0 3 370.497 2.571 10 30 FFEEHN Cc1ccc(N2CCCN(CCCOc3ccc(C#N)cc3)CC2)nn1 ZINC000170939312 509858356 /nfs/dbraw/zinc/85/83/56/509858356.db2.gz JEHCUWQYKYNCAZ-UHFFFAOYSA-N 0 3 351.454 2.638 10 30 FFEEHN CCc1nnc(N2CC[C@@H](CN(C)Cc3cccnc3)C2)c(C#N)c1CC ZINC000190450064 510137433 /nfs/dbraw/zinc/13/74/33/510137433.db2.gz USIIRRNLOJKQDQ-KRWDZBQOSA-N 0 3 364.497 2.826 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N[C@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000171551886 510222119 /nfs/dbraw/zinc/22/21/19/510222119.db2.gz UKFGFBULMRPZRS-OAHLLOKOSA-N 0 3 359.470 2.859 10 30 FFEEHN C=CCSCCNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190702681 510294331 /nfs/dbraw/zinc/29/43/31/510294331.db2.gz YKWOXVQYHIOPSB-OAHLLOKOSA-N 0 3 368.572 2.834 10 30 FFEEHN C=CCN1CCC(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)CC1 ZINC000171727010 510333375 /nfs/dbraw/zinc/33/33/75/510333375.db2.gz UVVYEMAYLIJVRH-LJQANCHMSA-N 0 3 357.498 2.516 10 30 FFEEHN COc1ccccc1N(CCC#N)C(=O)[C@H](C)N1CCCN(C2CC2)CC1 ZINC000172543694 510783258 /nfs/dbraw/zinc/78/32/58/510783258.db2.gz MHBSNTVPVRBBKX-KRWDZBQOSA-N 0 3 370.497 2.500 10 30 FFEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000247309806 510856305 /nfs/dbraw/zinc/85/63/05/510856305.db2.gz LVTJIEAKUXJCJM-OXQOHEQNSA-N 0 3 370.497 2.840 10 30 FFEEHN C[C@]1(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)CCCNC1=O ZINC000330287431 510958044 /nfs/dbraw/zinc/95/80/44/510958044.db2.gz BELWWWGNQZYZIU-XLIONFOSSA-N 0 3 359.470 2.856 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)NC1CCN(C3CC3)CC1)C2 ZINC000329251144 512013913 /nfs/dbraw/zinc/01/39/13/512013913.db2.gz XYFOPMFSEKOHJJ-OAHLLOKOSA-N 0 3 359.518 2.626 10 30 FFEEHN CN1CC[C@@H]2[C@H](CCCN2C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329707141 512088952 /nfs/dbraw/zinc/08/89/52/512088952.db2.gz LJGHVNOBJIQOQB-KCYZZUKISA-N 0 3 350.507 2.850 10 30 FFEEHN CCOCCOCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000105757930 728508453 /nfs/dbraw/zinc/50/84/53/728508453.db2.gz FEAVWTFSATVISH-LLVKDONJSA-N 0 3 359.209 2.694 10 30 FFEEHN CCN1CCC[C@@H](CN(C)C(=O)Nc2nccs2)[C@@H]1c1cnn(C)c1 ZINC000329955032 729799581 /nfs/dbraw/zinc/79/95/81/729799581.db2.gz ORQSMWMARWLTST-DZGCQCFKSA-N 0 3 362.503 2.827 10 30 FFEEHN C=C(C)COc1cc(CNCc2cccnc2-n2cncn2)ccc1OC ZINC000057963372 507359250 /nfs/dbraw/zinc/35/92/50/507359250.db2.gz PSOLSSDMDPLQEB-UHFFFAOYSA-N 0 3 365.437 2.916 10 30 FFEEHN C[C@@H]1CN(C2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)CCO1 ZINC000092079610 508041749 /nfs/dbraw/zinc/04/17/49/508041749.db2.gz NFRMEDTVLJPRSX-GOSISDBHSA-N 0 3 356.514 2.722 10 30 FFEEHN C[C@H](C#N)Oc1ccc(CN2CCC(c3ccnn3CCO)CC2)cc1 ZINC000092811183 508102431 /nfs/dbraw/zinc/10/24/31/508102431.db2.gz UWKJIDRLVJBYEH-MRXNPFEDSA-N 0 3 354.454 2.546 10 30 FFEEHN C[C@H](C#N)Oc1ccc(CN2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000093272521 508132258 /nfs/dbraw/zinc/13/22/58/508132258.db2.gz YVTHLBRTJUWWAT-MRXNPFEDSA-N 0 3 351.454 2.868 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)NC2CCN(c3cccc(C)n3)CC2)CC1 ZINC000116956710 508572898 /nfs/dbraw/zinc/57/28/98/508572898.db2.gz YZFMWXMUOKMRIR-UHFFFAOYSA-N 0 3 371.529 2.699 10 30 FFEEHN N#Cc1c(NC(=O)CCN2CCN3CCCC[C@@H]3C2)sc2c1CCCC2 ZINC000172801200 509244645 /nfs/dbraw/zinc/24/46/45/509244645.db2.gz ADQZMOHRMWENEM-OAHLLOKOSA-N 0 3 372.538 2.997 10 30 FFEEHN CC[C@@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000249151252 509622815 /nfs/dbraw/zinc/62/28/15/509622815.db2.gz HJBFAZDBNIDDSD-MSOLQXFVSA-N 0 3 368.481 2.511 10 30 FFEEHN C[C@H](C#N)Oc1ccc(CNC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000245630050 510049288 /nfs/dbraw/zinc/04/92/88/510049288.db2.gz SBXFZHQMQZMNFS-JRGCBEDISA-N 0 3 365.477 2.702 10 30 FFEEHN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000245905986 510200487 /nfs/dbraw/zinc/20/04/87/510200487.db2.gz CGBYJXZKIKXJNT-NJDAHSKKSA-N 0 3 364.445 2.870 10 30 FFEEHN CC[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CCN1C[C@@H](C)O ZINC000174733466 510276661 /nfs/dbraw/zinc/27/66/61/510276661.db2.gz FBXJHSZLEJZNMH-DOMZBBRYSA-N 0 3 360.408 2.666 10 30 FFEEHN N#Cc1c(NC(=O)CN2CCCN(C3CC3)CC2)sc2c1CCCCC2 ZINC000172347861 510684405 /nfs/dbraw/zinc/68/44/05/510684405.db2.gz ARHYZTGLNIWTBQ-UHFFFAOYSA-N 0 3 372.538 2.997 10 30 FFEEHN COc1ccc(C#N)cc1CN1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195287549 510761209 /nfs/dbraw/zinc/76/12/09/510761209.db2.gz FLRKCZFEWYTDEY-LJQANCHMSA-N 0 3 350.466 2.916 10 30 FFEEHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@]2(O)CCCC[C@@H]2C1 ZINC000247002082 510792875 /nfs/dbraw/zinc/79/28/75/510792875.db2.gz PREPIRVKBSFHJU-RCHSDXJNSA-N 0 3 361.530 2.933 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)NC1CCN(C3CC3)CC1)C2 ZINC000329251143 512013858 /nfs/dbraw/zinc/01/38/58/512013858.db2.gz XYFOPMFSEKOHJJ-HNNXBMFYSA-N 0 3 359.518 2.626 10 30 FFEEHN O=C(NCC1(N2CCSCC2)CCCC1)N[C@@H]1CCCCC[C@H]1O ZINC000329258288 512015011 /nfs/dbraw/zinc/01/50/11/512015011.db2.gz YJCADNRIBJMBRA-HZPDHXFCSA-N 0 3 355.548 2.545 10 30 FFEEHN N#Cc1ccc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1Cl ZINC000107707623 250311228 /nfs/dbraw/zinc/31/12/28/250311228.db2.gz XXBIMZKDYSSNPE-OAHLLOKOSA-N 0 3 367.902 2.851 10 30 FFEEHN N#Cc1cc(N2CCN(C[C@H]3CCOC3)CC2)nc2ccc(Cl)cc12 ZINC000301526973 258054241 /nfs/dbraw/zinc/05/42/41/258054241.db2.gz GJZYUWSVDWFVJN-CQSZACIVSA-N 0 3 356.857 2.918 10 30 FFEEHN Cc1cnn(CCN[C@H](C)C(=O)N(CCC#N)c2cc(C)cc(C)c2)c1 ZINC000113443264 508268080 /nfs/dbraw/zinc/26/80/80/508268080.db2.gz GDQAFSUXCIMEIM-GOSISDBHSA-N 0 3 353.470 2.733 10 30 FFEEHN CC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000177130217 509890116 /nfs/dbraw/zinc/89/01/16/509890116.db2.gz DVZHEGKUCDDXKI-QAPCUYQASA-N 0 3 354.416 2.834 10 30 FFEEHN N#Cc1ccsc1NC(=O)CCN1CCCN(c2ccccn2)CC1 ZINC000183802201 509982130 /nfs/dbraw/zinc/98/21/30/509982130.db2.gz FWCKQKHGOBGDAG-UHFFFAOYSA-N 0 3 355.467 2.556 10 30 FFEEHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN3CCC[C@@H]3C2)cc1 ZINC000171891661 510431286 /nfs/dbraw/zinc/43/12/86/510431286.db2.gz LCBHGUHXGYMYRF-LJQANCHMSA-N 0 3 368.481 2.813 10 30 FFEEHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN3CCC[C@@H]3C2)c1 ZINC000178630724 510696495 /nfs/dbraw/zinc/69/64/95/510696495.db2.gz MUGTTYXUSDWZRN-RBUKOAKNSA-N 0 3 354.498 2.719 10 30 FFEEHN C[C@H](NC[C@@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000182086964 510749993 /nfs/dbraw/zinc/74/99/93/510749993.db2.gz VYZNPZPMQAFWPC-YYWHXJBOSA-N 0 3 365.477 2.875 10 30 FFEEHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2C[C@H](O)c2ccccc2)cc1 ZINC000247642070 510867701 /nfs/dbraw/zinc/86/77/01/510867701.db2.gz TVWRGIPKLMJLMK-VWPQPMDRSA-N 0 3 366.461 2.886 10 30 FFEEHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330111024 510918338 /nfs/dbraw/zinc/91/83/38/510918338.db2.gz ASHCALIUCBQIIN-DLVXIWMQSA-N 0 3 368.481 2.975 10 30 FFEEHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000281576363 511896236 /nfs/dbraw/zinc/89/62/36/511896236.db2.gz ZLWVZYYDBCWATK-JUHPOPGZSA-N 0 3 367.493 2.925 10 30 FFEEHN C[C@@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@@H](C)C2)CC1)c1cn[nH]c1 ZINC000328853755 511940867 /nfs/dbraw/zinc/94/08/67/511940867.db2.gz JFGFSJXSYVRCPE-OWCLPIDISA-N 0 3 363.506 2.596 10 30 FFEEHN C=CCN1CCC(NC(=O)[C@@H](NC(=O)OC(C)(C)C)[C@H](C)CC)CC1 ZINC000171714932 729011076 /nfs/dbraw/zinc/01/10/76/729011076.db2.gz KOUXVSHULFUBLQ-ZBFHGGJFSA-N 0 3 353.507 2.692 10 30 FFEEHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCC(c2cc[nH]n2)CC1 ZINC000329460229 967727408 /nfs/dbraw/zinc/72/74/08/967727408.db2.gz RUXOLYFOYQXULG-GOSISDBHSA-N 0 3 353.470 2.778 10 30 FFEEHN C[C@H]1CN2CCCC[C@H]2CN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329654757 967915361 /nfs/dbraw/zinc/91/53/61/967915361.db2.gz MAAXGXBQQOPVQB-RDJZCZTQSA-N 0 3 359.470 2.995 10 30 FFEEHN C=C[C@H](CC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000089505508 507843556 /nfs/dbraw/zinc/84/35/56/507843556.db2.gz ZYOVUVUHNMRYAJ-TZIWHRDSSA-N 0 3 355.526 2.975 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)NC[C@H]2CCN(C)c3ccccc32)CC1 ZINC000106262279 508398476 /nfs/dbraw/zinc/39/84/76/508398476.db2.gz GZBILUUTSOUSMC-QGZVFWFLSA-N 0 3 356.514 2.950 10 30 FFEEHN CCN1CCC[C@@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000175991956 509261163 /nfs/dbraw/zinc/26/11/63/509261163.db2.gz CLFAYMLUNZWWMJ-MRXNPFEDSA-N 0 3 353.388 2.840 10 30 FFEEHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248661519 509423817 /nfs/dbraw/zinc/42/38/17/509423817.db2.gz XDYQLUAVGFYNPA-QUCCMNQESA-N 0 3 358.530 2.648 10 30 FFEEHN C=CCN1CCC(NC(=O)N[C@@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000173196576 509448710 /nfs/dbraw/zinc/44/87/10/509448710.db2.gz IBELVKRUULXTRC-INIZCTEOSA-N 0 3 353.470 2.883 10 30 FFEEHN COc1ccc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)cc1OCCCC#N ZINC000180234811 509825514 /nfs/dbraw/zinc/82/55/14/509825514.db2.gz IOAJGBDBLCHOQV-HKUYNNGSSA-N 0 3 373.497 2.530 10 30 FFEEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)C1(C#N)CCCC1 ZINC000177454633 510068613 /nfs/dbraw/zinc/06/86/13/510068613.db2.gz PDFPTUQIJXTUIP-HXUWFJFHSA-N 0 3 369.509 2.974 10 30 FFEEHN CN(C)c1noc([C@@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000194925862 510593283 /nfs/dbraw/zinc/59/32/83/510593283.db2.gz DHLKQGDNQMRKPK-QGZVFWFLSA-N 0 3 368.485 2.865 10 30 FFEEHN CN(C)C[C@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CCO1 ZINC000181938091 510668684 /nfs/dbraw/zinc/66/86/84/510668684.db2.gz UVLIYOKCQPRKCD-KRWDZBQOSA-N 0 3 365.433 2.753 10 30 FFEEHN C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000182086349 510747789 /nfs/dbraw/zinc/74/77/89/510747789.db2.gz KBAWRIWJIZVSAA-DLBZAZTESA-N 0 3 351.450 2.962 10 30 FFEEHN Cc1csc([C@@H]2CCCN(C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000195327638 510787053 /nfs/dbraw/zinc/78/70/53/510787053.db2.gz DOXMXBXGGOPEOI-SJORKVTESA-N 0 3 357.479 2.943 10 30 FFEEHN Cn1cc([C@H](NC(=O)N2CC[C@H]3CCN(C)C[C@H]32)c2ccc(F)cc2)cn1 ZINC000330127238 510920914 /nfs/dbraw/zinc/92/09/14/510920914.db2.gz MRVYXMHRDNRASX-NIKGAXFTSA-N 0 3 371.460 2.589 10 30 FFEEHN CC(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000330328783 510964834 /nfs/dbraw/zinc/96/48/34/510964834.db2.gz LYCBNEJCRQYLGV-MUGJNUQGSA-N 0 3 374.529 2.981 10 30 FFEEHN CCN1CCC[C@@H](NC(=O)[C@H]2CCC(=O)N(C3CC3)[C@@H]2c2ccncc2)C1 ZINC000328927692 511951307 /nfs/dbraw/zinc/95/13/07/511951307.db2.gz GAKQCKBXAOISJN-IMFGXOCKSA-N 0 3 370.497 2.965 10 30 FFEEHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374177145 512694927 /nfs/dbraw/zinc/69/49/27/512694927.db2.gz VDRBVBAQRYYZRQ-GFEQUFNTSA-N 0 3 361.530 2.979 10 30 FFEEHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@H](c3cnn(C)c3)C2)C1 ZINC000329353647 967657628 /nfs/dbraw/zinc/65/76/28/967657628.db2.gz YBOWAXKXYANFCX-KPFFTGBYSA-N 0 3 367.497 2.959 10 30 FFEEHN CCN1CCC[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000105174120 250202657 /nfs/dbraw/zinc/20/26/57/250202657.db2.gz MOLIGHAKDSQNSE-KRWDZBQOSA-N 0 3 356.470 2.595 10 30 FFEEHN C=CCC[C@H](CN(C)CCN(C)C)Oc1cc(-c2nc(C)no2)ccn1 ZINC000072409503 507784384 /nfs/dbraw/zinc/78/43/84/507784384.db2.gz BGKCJOBNXMIVCB-QGZVFWFLSA-N 0 3 359.474 2.647 10 30 FFEEHN CC(C)[C@@H](C)NC(=O)C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000103472560 508314020 /nfs/dbraw/zinc/31/40/20/508314020.db2.gz UBZLBZBYLVZXNE-MRXNPFEDSA-N 0 3 370.497 2.760 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000106269336 508398724 /nfs/dbraw/zinc/39/87/24/508398724.db2.gz CUKMDTHQQDMDAR-GOSISDBHSA-N 0 3 370.501 2.766 10 30 FFEEHN CN(C[C@@H](O)c1ccc(C#N)cc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000127464762 508454077 /nfs/dbraw/zinc/45/40/77/508454077.db2.gz CMXCPBHYRKEXJJ-RBUKOAKNSA-N 0 3 371.506 2.658 10 30 FFEEHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000118822016 508678415 /nfs/dbraw/zinc/67/84/15/508678415.db2.gz SJPIGVUYFJRLHM-HUUCEWRRSA-N 0 3 362.499 2.875 10 30 FFEEHN C#CCOc1ccccc1CN1CCC(C(=O)Nc2cc(C)on2)CC1 ZINC000179856996 509649512 /nfs/dbraw/zinc/64/95/12/509649512.db2.gz WYJYIXWDBHIGPX-UHFFFAOYSA-N 0 3 353.422 2.846 10 30 FFEEHN Cc1csc([C@H]2CCCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000249857023 509775637 /nfs/dbraw/zinc/77/56/37/509775637.db2.gz DOXMXBXGGOPEOI-DLBZAZTESA-N 0 3 357.479 2.943 10 30 FFEEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)NCCOc1ccc(C#N)cc1 ZINC000181280348 510337135 /nfs/dbraw/zinc/33/71/35/510337135.db2.gz HBCYCNYCZVGARU-KRWDZBQOSA-N 0 3 366.465 2.757 10 30 FFEEHN N#CC1(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)CCCC1 ZINC000174859545 510348747 /nfs/dbraw/zinc/34/87/47/510348747.db2.gz HDIWFKYWLDYYRU-LJQANCHMSA-N 0 3 355.482 2.632 10 30 FFEEHN CC[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CCN1C[C@H](C)O ZINC000246522783 510536198 /nfs/dbraw/zinc/53/61/98/510536198.db2.gz VAPJTPMGVNKCLY-DOTOQJQBSA-N 0 3 370.415 2.714 10 30 FFEEHN Cc1nccn1C[C@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000178754060 510756179 /nfs/dbraw/zinc/75/61/79/510756179.db2.gz RCCUXMXARIMOCV-MRXNPFEDSA-N 0 3 357.845 2.820 10 30 FFEEHN C[C@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCN(C2CC2)CC1 ZINC000172541011 510781363 /nfs/dbraw/zinc/78/13/63/510781363.db2.gz QCXAIORSIZJPGF-MRXNPFEDSA-N 0 3 358.461 2.631 10 30 FFEEHN CN(CC(=O)NC1CCOCC1)C[C@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328635331 511902747 /nfs/dbraw/zinc/90/27/47/511902747.db2.gz NHDLXYJWROBFLW-GFCCVEGCSA-N 0 3 374.407 2.532 10 30 FFEEHN CN1CCC[C@@H]1CNC(=O)N1CCO[C@H](c2nc(C(C)(C)C)cs2)C1 ZINC000328742364 511924040 /nfs/dbraw/zinc/92/40/40/511924040.db2.gz NXIHTEUZWSLGEI-KGLIPLIRSA-N 0 3 366.531 2.822 10 30 FFEEHN C[C@@H]1CN2CCC[C@@H]2CN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329093032 511982145 /nfs/dbraw/zinc/98/21/45/511982145.db2.gz KCMKGAMLWCESOX-GDBMZVCRSA-N 0 3 363.531 2.843 10 30 FFEEHN CN1CCC[C@H](CNC(=O)N2CC[C@H](CCO)C2)[C@H]1c1cccs1 ZINC000329805823 512099354 /nfs/dbraw/zinc/09/93/54/512099354.db2.gz KXKHPDNYXVZFGN-INMHGKMJSA-N 0 3 351.516 2.749 10 30 FFEEHN CN1CCC[C@H](CNC(=O)N[C@@H]2CCCNC2=O)[C@@H]1c1cccs1 ZINC000329810239 512100591 /nfs/dbraw/zinc/10/05/91/512100591.db2.gz QOFLAHTVAMQUQS-UMVBOHGHSA-N 0 3 350.488 2.754 10 30 FFEEHN COCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@H]1c1ccc(Cl)c(Cl)c1 ZINC000246101548 729580534 /nfs/dbraw/zinc/58/05/34/729580534.db2.gz JTDHOQQPYHDUEB-RWMBFGLXSA-N 0 3 369.248 2.958 10 30 FFEEHN CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CCN(C)[C@@H]1c1ccccc1)C2 ZINC000328818355 964408450 /nfs/dbraw/zinc/40/84/50/964408450.db2.gz HRZCWUSBDNQITI-SJLPKXTDSA-N 0 3 368.485 2.577 10 30 FFEEHN C=CCN1CC[C@@]2(CN(CCCc3ccccc3)CCN2C)CCC1=O ZINC000107410417 507851152 /nfs/dbraw/zinc/85/11/52/507851152.db2.gz AFZUBISXOAAOSJ-JOCHJYFZSA-N 0 3 355.526 2.804 10 30 FFEEHN COC(=O)[C@@H]1CCCN(Cc2cn(CCC#N)nc2-c2ccccc2)C1 ZINC000123196653 508650680 /nfs/dbraw/zinc/65/06/80/508650680.db2.gz OIVCEYQPXFKGBC-QGZVFWFLSA-N 0 3 352.438 2.849 10 30 FFEEHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000158187702 508668620 /nfs/dbraw/zinc/66/86/20/508668620.db2.gz REGCCIJTSCPJDO-CABCVRRESA-N 0 3 362.499 2.733 10 30 FFEEHN CCCN1C[C@H](COS(C)(=O)=O)C[C@@H]2c3cccc4[nH]cc(c43)C[C@H]21 ZINC000140672814 508807603 /nfs/dbraw/zinc/80/76/03/508807603.db2.gz ZRMVUDVPSHUKAZ-MZMPZRCHSA-N 0 3 362.495 2.884 10 30 FFEEHN C=C(C)[C@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1ccc(F)c(F)c1 ZINC000185835172 509377786 /nfs/dbraw/zinc/37/77/86/509377786.db2.gz VJQZAHOINFMXOC-PBHICJAKSA-N 0 3 353.413 2.554 10 30 FFEEHN Cc1nccn1C[C@H]1CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182828077 509445005 /nfs/dbraw/zinc/44/50/05/509445005.db2.gz QTGZGYMWFYIZTD-WOJBJXKFSA-N 0 3 363.465 2.723 10 30 FFEEHN CN(C)C[C@@H](NC(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000173562826 509652163 /nfs/dbraw/zinc/65/21/63/509652163.db2.gz MDXKNMWWKVEIFC-LJQANCHMSA-N 0 3 352.438 2.539 10 30 FFEEHN COc1cc(CN2CCCN(Cc3ccc(C#N)cc3)CC2)ccc1O ZINC000180059778 509730675 /nfs/dbraw/zinc/73/06/75/509730675.db2.gz NAMXTCAKUIJYQH-UHFFFAOYSA-N 0 3 351.450 2.980 10 30 FFEEHN COc1ccc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000180234791 509825231 /nfs/dbraw/zinc/82/52/31/509825231.db2.gz IOAJGBDBLCHOQV-MJGOQNOKSA-N 0 3 373.497 2.530 10 30 FFEEHN C[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1 ZINC000180655303 510037928 /nfs/dbraw/zinc/03/79/28/510037928.db2.gz IKHJWPZMVANGFI-JXFKEZNVSA-N 0 3 362.433 2.834 10 30 FFEEHN O=C(NCCN[C@H]1CC2(CCCC2)Oc2ccccc21)C1N=CC=CC1=O ZINC000180872559 510155314 /nfs/dbraw/zinc/15/53/14/510155314.db2.gz UVYMXEDBBIKZTE-JVMRMLDLSA-N 0 3 367.449 2.939 10 30 FFEEHN Cc1nccn1C[C@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000178292719 510531564 /nfs/dbraw/zinc/53/15/64/510531564.db2.gz IVVRWWDCKMVMNJ-LJQANCHMSA-N 0 3 351.454 2.603 10 30 FFEEHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000247113993 510838000 /nfs/dbraw/zinc/83/80/00/510838000.db2.gz KSUOGORPYXHWLQ-CVEARBPZSA-N 0 3 358.511 2.799 10 30 FFEEHN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC000330086404 510913183 /nfs/dbraw/zinc/91/31/83/510913183.db2.gz SBIPNFKEIZVAHZ-ZHALLVOQSA-N 0 3 354.454 2.729 10 30 FFEEHN C[C@H]1CCCN(Cc2csc(NC(=O)N3CCN4CCC[C@@H]4C3)n2)C1 ZINC000329349576 512032160 /nfs/dbraw/zinc/03/21/60/512032160.db2.gz DWACTEWJGKIKIG-GOEBONIOSA-N 0 3 363.531 2.701 10 30 FFEEHN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000329818131 512101042 /nfs/dbraw/zinc/10/10/42/512101042.db2.gz FRCILUSKDBUFIC-ROUUACIJSA-N 0 3 359.470 2.651 10 30 FFEEHN CCCS(=O)(=O)N1CCC[C@H]1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080451386 728328225 /nfs/dbraw/zinc/32/82/25/728328225.db2.gz AHZITPNBEGIUGS-OCCSQVGLSA-N 0 3 369.512 2.647 10 30 FFEEHN CCCC(=O)NCC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000105763001 728508751 /nfs/dbraw/zinc/50/87/51/728508751.db2.gz IEPBMRFDTXLYJG-CQSZACIVSA-N 0 3 352.419 2.774 10 30 FFEEHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000329672309 967929949 /nfs/dbraw/zinc/92/99/49/967929949.db2.gz UMFLWBJMXADBCE-VQIMIIECSA-N 0 3 370.497 2.960 10 30 FFEEHN C=C[C@@H](CC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000089505514 507843542 /nfs/dbraw/zinc/84/35/42/507843542.db2.gz ZYOVUVUHNMRYAJ-PZJWPPBQSA-N 0 3 355.526 2.975 10 30 FFEEHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@@H](C)c1cccc(Br)c1 ZINC000075671809 508126854 /nfs/dbraw/zinc/12/68/54/508126854.db2.gz LULCMYNLICZPLP-WDEREUQCSA-N 0 3 354.248 2.500 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H]2c2c(C)nn(C)c2C)CC1 ZINC000114596588 508329400 /nfs/dbraw/zinc/32/94/00/508329400.db2.gz YIZJNHSDEZKFJN-GOSISDBHSA-N 0 3 359.518 2.924 10 30 FFEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)C(C)C ZINC000116531280 508525450 /nfs/dbraw/zinc/52/54/50/508525450.db2.gz DHHYEEPOZKKZAH-IEBWSBKVSA-N 0 3 359.518 2.618 10 30 FFEEHN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000158187548 508669011 /nfs/dbraw/zinc/66/90/11/508669011.db2.gz REGCCIJTSCPJDO-LSDHHAIUSA-N 0 3 362.499 2.733 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N2CCC(Nc3nccs3)CC2)CC1 ZINC000187037843 510019958 /nfs/dbraw/zinc/01/99/58/510019958.db2.gz TVHCBMAZSSJHPZ-UHFFFAOYSA-N 0 3 363.531 2.770 10 30 FFEEHN C#CCOc1ccc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190619533 510242745 /nfs/dbraw/zinc/24/27/45/510242745.db2.gz YCQYKKXPAXGTSE-IBGZPJMESA-N 0 3 363.461 2.688 10 30 FFEEHN C=CCCC[C@@H](C)NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000181105584 510277805 /nfs/dbraw/zinc/27/78/05/510277805.db2.gz SKYVBNIYNOHGOF-QGZVFWFLSA-N 0 3 359.518 2.720 10 30 FFEEHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2C[C@H](O)c2ccccc2)CC1 ZINC000174776617 510306936 /nfs/dbraw/zinc/30/69/36/510306936.db2.gz VGIYJOPUOMRESO-UXHICEINSA-N 0 3 357.498 2.935 10 30 FFEEHN CCc1nc2n(n1)CCC[C@H]2NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181881263 510640171 /nfs/dbraw/zinc/64/01/71/510640171.db2.gz UTQYLGRBXTYWSW-LJQANCHMSA-N 0 3 364.497 2.801 10 30 FFEEHN Cc1ccc(N(CCC#N)C(=O)[C@@H](C)N2CCCN(C3CC3)CC2)cc1 ZINC000172543704 510783306 /nfs/dbraw/zinc/78/33/06/510783306.db2.gz IBAPOAVPPKAVNX-GOSISDBHSA-N 0 3 354.498 2.800 10 30 FFEEHN C=C(C)CN1CCC(Nc2c3c(C)nn(C)c3ncc2C(=O)OCC)CC1 ZINC000302094674 511707331 /nfs/dbraw/zinc/70/73/31/511707331.db2.gz INPLDQSHNIRTFZ-UHFFFAOYSA-N 0 3 371.485 2.906 10 30 FFEEHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NCc2ccc(OC)c(C#N)c2)cn1 ZINC000328657009 511911374 /nfs/dbraw/zinc/91/13/74/511911374.db2.gz ZXCSAPYCHWBSQE-APWZRJJASA-N 0 3 353.426 2.733 10 30 FFEEHN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000328932087 511952472 /nfs/dbraw/zinc/95/24/72/511952472.db2.gz BLOFWCJQMFRKOG-VSZNYVQBSA-N 0 3 354.454 2.900 10 30 FFEEHN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CCN2CCC[C@H]2C1 ZINC000329154845 511994937 /nfs/dbraw/zinc/99/49/37/511994937.db2.gz UWEXWEWQINFXEJ-AWEZNQCLSA-N 0 3 365.861 2.695 10 30 FFEEHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000125097731 728678426 /nfs/dbraw/zinc/67/84/26/728678426.db2.gz XSYUZXSUNZOOTL-PWSUYJOCSA-N 0 3 373.236 2.622 10 30 FFEEHN CCn1nc(C(=O)N[C@@H]2CCN(C3CCCC3)C2)c(=O)c2ccccc21 ZINC000329404378 967681594 /nfs/dbraw/zinc/68/15/94/967681594.db2.gz BNHKIYKSVSSLPG-CQSZACIVSA-N 0 3 354.454 2.738 10 30 FFEEHN N#Cc1cccc(OC2CCN(C[C@@H](O)COCc3ccccc3)CC2)c1 ZINC000104963122 250191467 /nfs/dbraw/zinc/19/14/67/250191467.db2.gz QSKHGNKSYNHTSE-HXUWFJFHSA-N 0 3 366.461 2.979 10 30 FFEEHN CC(C)CN1CCc2nc(N)c(C#N)c(-c3cnc(NC(C)C)nc3)c2C1 ZINC000072134320 507754855 /nfs/dbraw/zinc/75/48/55/507754855.db2.gz OODCHHJCFRJUIU-UHFFFAOYSA-N 0 3 365.485 2.827 10 30 FFEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)C(C)C ZINC000156581718 508445109 /nfs/dbraw/zinc/44/51/09/508445109.db2.gz RTBGBRDLXKELAA-LJQANCHMSA-N 0 3 359.518 2.997 10 30 FFEEHN C=CCOc1cccc(NC(=O)N2CCCC[C@H](N3CCN(C)CC3)C2)c1 ZINC000126036489 509057187 /nfs/dbraw/zinc/05/71/87/509057187.db2.gz LBVKHGIXOKXDGE-IBGZPJMESA-N 0 3 372.513 2.885 10 30 FFEEHN C=C(C)[C@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccc(F)c(F)c1 ZINC000185835204 509376789 /nfs/dbraw/zinc/37/67/89/509376789.db2.gz VJQZAHOINFMXOC-YOEHRIQHSA-N 0 3 353.413 2.554 10 30 FFEEHN COc1ccc(CN2CC[C@H](CN(C)Cc3cccnc3)C2)cc1C#N ZINC000190488313 510160853 /nfs/dbraw/zinc/16/08/53/510160853.db2.gz NBYWCOIJNLXRDZ-LJQANCHMSA-N 0 3 350.466 2.916 10 30 FFEEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000177708525 510210391 /nfs/dbraw/zinc/21/03/91/510210391.db2.gz MQRHNGZBSMZZHD-LPHOPBHVSA-N 0 3 360.477 2.877 10 30 FFEEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1ccc(OCC#N)cc1 ZINC000182069150 510739655 /nfs/dbraw/zinc/73/96/55/510739655.db2.gz QFDSBYPWFRYHJO-KRWDZBQOSA-N 0 3 351.450 2.768 10 30 FFEEHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)[C@@H]1CCO[C@H]1c1ccnn1C ZINC000330111025 510917759 /nfs/dbraw/zinc/91/77/59/510917759.db2.gz ASHCALIUCBQIIN-PHXBYCTMSA-N 0 3 368.481 2.975 10 30 FFEEHN CN(CC(=O)NC1CCOCC1)C[C@@H]1CCc2nc(C(F)(F)F)cn2C1 ZINC000328635334 511903333 /nfs/dbraw/zinc/90/33/33/511903333.db2.gz NHDLXYJWROBFLW-LBPRGKRZSA-N 0 3 374.407 2.532 10 30 FFEEHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000407961217 512975243 /nfs/dbraw/zinc/97/52/43/512975243.db2.gz BUGIAJBRRBPNTG-XWSJACJDSA-N 0 3 361.530 2.933 10 30 FFEEHN N#Cc1ccc(N2CCC[C@H](N3CC[C@]4(O)CCCC[C@@H]4C3)C2=O)cc1 ZINC000182850872 992282074 /nfs/dbraw/zinc/28/20/74/992282074.db2.gz JZCDOXAFERUHDT-SLYNCCJLSA-N 0 3 353.466 2.681 10 30 FFEEHN Cc1cc(C)cc(N(CCC#N)C(=O)CN2CCCN(C3CC3)CC2)c1 ZINC000061041422 507594584 /nfs/dbraw/zinc/59/45/84/507594584.db2.gz IDMCCTZKNZZXIA-UHFFFAOYSA-N 0 3 354.498 2.720 10 30 FFEEHN N#Cc1cc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)ccc1Cl ZINC000107873924 507872232 /nfs/dbraw/zinc/87/22/32/507872232.db2.gz HZGFFNINMGNZHG-INIZCTEOSA-N 0 3 374.872 2.627 10 30 FFEEHN N#Cc1cccc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000115157171 508372428 /nfs/dbraw/zinc/37/24/28/508372428.db2.gz LQYXKQCWPHGODI-OAQYLSRUSA-N 0 3 363.461 2.734 10 30 FFEEHN Cn1cc([C@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)cn1 ZINC000116316013 508498249 /nfs/dbraw/zinc/49/82/49/508498249.db2.gz WXORZHLOYCBBRE-ZDUSSCGKSA-N 0 3 369.494 2.660 10 30 FFEEHN Cc1nccn1C[C@@H]1CCCN1[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000182828056 509446002 /nfs/dbraw/zinc/44/60/02/509446002.db2.gz QTGZGYMWFYIZTD-VQTJNVASSA-N 0 3 363.465 2.723 10 30 FFEEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C[C@H](O)c3ccc(C#N)cc3)C[C@H]12 ZINC000186010740 509478595 /nfs/dbraw/zinc/47/85/95/509478595.db2.gz VWOKFLXVJVKQFT-HCXYKTFWSA-N 0 3 371.481 2.827 10 30 FFEEHN C#CCC(C)(C)C(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000184430003 510320430 /nfs/dbraw/zinc/32/04/30/510320430.db2.gz BYVCYCZSDWWRRL-FQEVSTJZSA-N 0 3 356.510 2.940 10 30 FFEEHN C[C@@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCCC2 ZINC000181834916 510617233 /nfs/dbraw/zinc/61/72/33/510617233.db2.gz WXQUHSYDGUUQII-MRXNPFEDSA-N 0 3 364.497 2.801 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCN(C3CCC3)CC1)C2 ZINC000329383640 512037145 /nfs/dbraw/zinc/03/71/45/512037145.db2.gz OYLUWHMAAPNPGU-HNNXBMFYSA-N 0 3 359.518 2.580 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCN(C3CCC3)CC1)C2 ZINC000329383640 512037153 /nfs/dbraw/zinc/03/71/53/512037153.db2.gz OYLUWHMAAPNPGU-HNNXBMFYSA-N 0 3 359.518 2.580 10 30 FFEEHN C[C@@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@@H](C)C2)CC1)[C@@H]1CCCCO1 ZINC000329475579 512054858 /nfs/dbraw/zinc/05/48/58/512054858.db2.gz NUACHFRBYZSTHF-NTDBWNAOSA-N 0 3 367.534 2.679 10 30 FFEEHN CN(C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@H]1CCSC1 ZINC000329713061 512089037 /nfs/dbraw/zinc/08/90/37/512089037.db2.gz QYXFMQKNOVWIJN-XQQFMLRXSA-N 0 3 352.460 2.518 10 30 FFEEHN COCCCNC(=O)C(C#N)C(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000125097338 728678452 /nfs/dbraw/zinc/67/84/52/728678452.db2.gz XSYUZXSUNZOOTL-ZYHUDNBSSA-N 0 3 373.236 2.622 10 30 FFEEHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1Cl ZINC000246624917 729588645 /nfs/dbraw/zinc/58/86/45/729588645.db2.gz NJQHHMZUVKQICF-YNEHKIRRSA-N 0 3 369.248 2.958 10 30 FFEEHN CCc1nccn1[C@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106217621 250258525 /nfs/dbraw/zinc/25/85/25/250258525.db2.gz WYDTWNLYTLTJAF-SFHVURJKSA-N 0 3 351.454 2.983 10 30 FFEEHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2C[C@H](O)c2cccs2)cc1 ZINC000252652242 251311519 /nfs/dbraw/zinc/31/15/19/251311519.db2.gz IXMWSVBJCSCRAA-SCTDSRPQSA-N 0 3 372.490 2.948 10 30 FFEEHN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000110347977 508021849 /nfs/dbraw/zinc/02/18/49/508021849.db2.gz NVUVYQRDHIFEGX-DLBZAZTESA-N 0 3 351.450 2.962 10 30 FFEEHN C#CCCCCNC(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000155007301 508902622 /nfs/dbraw/zinc/90/26/22/508902622.db2.gz ZQOOOLAGSYZZJH-OAQYLSRUSA-N 0 3 371.525 2.877 10 30 FFEEHN C=CCN1CCC(NC(=O)N2CC3(CCOCC3)c3ccccc32)CC1 ZINC000188692302 509216174 /nfs/dbraw/zinc/21/61/74/509216174.db2.gz AXDMVKVQPWSQFB-UHFFFAOYSA-N 0 3 355.482 2.915 10 30 FFEEHN C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@H]2CC)c1 ZINC000249152693 509624583 /nfs/dbraw/zinc/62/45/83/509624583.db2.gz HQEUWGQLMLWZCF-MSOLQXFVSA-N 0 3 371.481 2.665 10 30 FFEEHN CCN1CCC[C@H]1CN(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000176906769 509757840 /nfs/dbraw/zinc/75/78/40/509757840.db2.gz KLQMBMJGZBJNGM-HNNXBMFYSA-N 0 3 374.510 2.574 10 30 FFEEHN Cc1nc(C[C@H]2CCCN(CCC(=O)Nc3ccccc3C#N)C2)no1 ZINC000171653844 510284187 /nfs/dbraw/zinc/28/41/87/510284187.db2.gz YAWNMAJTUYISHL-OAHLLOKOSA-N 0 3 353.426 2.533 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000190691138 510287485 /nfs/dbraw/zinc/28/74/85/510287485.db2.gz BTGOBZARHUIKOQ-FQEVSTJZSA-N 0 3 363.465 2.617 10 30 FFEEHN N#Cc1ccsc1C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000174853621 510344925 /nfs/dbraw/zinc/34/49/25/510344925.db2.gz JKOOZKSLGBWDRZ-GOSISDBHSA-N 0 3 369.490 2.795 10 30 FFEEHN COc1ccc(C#N)cc1CN1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195287538 510761453 /nfs/dbraw/zinc/76/14/53/510761453.db2.gz FLRKCZFEWYTDEY-IBGZPJMESA-N 0 3 350.466 2.916 10 30 FFEEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000247309799 510856439 /nfs/dbraw/zinc/85/64/39/510856439.db2.gz LVTJIEAKUXJCJM-OXJNMPFZSA-N 0 3 370.497 2.840 10 30 FFEEHN N#CC1(C(=O)N2CC[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CCOCC1 ZINC000364673240 511011513 /nfs/dbraw/zinc/01/15/13/511011513.db2.gz GLGZGZLUJFFEAR-MOPGFXCFSA-N 0 3 353.466 2.572 10 30 FFEEHN C[C@H]1CCCN(Cc2csc(NC(=O)N3CC[C@@H](N(C)C)C3)n2)C1 ZINC000328905288 511949082 /nfs/dbraw/zinc/94/90/82/511949082.db2.gz AQUWDNSKRUJWNW-DZGCQCFKSA-N 0 3 351.520 2.556 10 30 FFEEHN CN1CCC[C@H](CNC(=O)NC[C@@H]2CCC[C@@H]2O)[C@H]1c1cccs1 ZINC000329797958 512098593 /nfs/dbraw/zinc/09/85/93/512098593.db2.gz GAVLAJHBNZSYSB-IVSAIRAKSA-N 0 3 351.516 2.796 10 30 FFEEHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000407961215 512975363 /nfs/dbraw/zinc/97/53/63/512975363.db2.gz BUGIAJBRRBPNTG-HCXYKTFWSA-N 0 3 361.530 2.933 10 30 FFEEHN CC(C)c1nnc2n1CCN(C(=O)N[C@@H]1CCN(C)[C@H]1c1ccccc1)C2 ZINC000328818353 964407801 /nfs/dbraw/zinc/40/78/01/964407801.db2.gz HRZCWUSBDNQITI-AEFFLSMTSA-N 0 3 368.485 2.577 10 30 FFEEHN COC[C@@H](O)CN1CCC(Nc2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301858965 258070950 /nfs/dbraw/zinc/07/09/50/258070950.db2.gz CRUJPCPPUAUVKP-INIZCTEOSA-N 0 3 374.872 2.643 10 30 FFEEHN C[C@@H]1CCCCN1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108606609 507908230 /nfs/dbraw/zinc/90/82/30/507908230.db2.gz GKVVTMJTLLPKOH-OAHLLOKOSA-N 0 3 374.510 2.621 10 30 FFEEHN Cc1ccc(C#N)cc1NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000109383247 507959156 /nfs/dbraw/zinc/95/91/56/507959156.db2.gz AQJRQPXYABKTBD-UHFFFAOYSA-N 0 3 366.469 2.692 10 30 FFEEHN C=CCc1cc(CN[C@@H]2CCCN(c3cccnn3)C2)cc(OC)c1O ZINC000113338283 508261864 /nfs/dbraw/zinc/26/18/64/508261864.db2.gz NVYLAHCVUADWRG-QGZVFWFLSA-N 0 3 354.454 2.678 10 30 FFEEHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H](C)c1nnc2n1CCCC2)C(C)C ZINC000153258298 508565104 /nfs/dbraw/zinc/56/51/04/508565104.db2.gz RSXBTYGDDIEZPP-IAGOWNOFSA-N 0 3 374.533 2.673 10 30 FFEEHN C[C@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000158187400 508668596 /nfs/dbraw/zinc/66/85/96/508668596.db2.gz REGCCIJTSCPJDO-HUUCEWRRSA-N 0 3 362.499 2.733 10 30 FFEEHN C[C@H](C#N)Oc1ccc(CNC[C@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000124370436 508822582 /nfs/dbraw/zinc/82/25/82/508822582.db2.gz SBXFZHQMQZMNFS-UIFIKXQLSA-N 0 3 365.477 2.702 10 30 FFEEHN C=C(C)[C@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)c(F)c1 ZINC000185839708 509379866 /nfs/dbraw/zinc/37/98/66/509379866.db2.gz ZYQGUZLOXDHUNH-QAPCUYQASA-N 0 3 367.440 2.728 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCc2cccc(C#N)c2)C1 ZINC000190691166 510288060 /nfs/dbraw/zinc/28/80/60/510288060.db2.gz BTGOBZARHUIKOQ-HXUWFJFHSA-N 0 3 363.465 2.617 10 30 FFEEHN C=CCN1CCC(NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)CC1 ZINC000171727007 510333185 /nfs/dbraw/zinc/33/31/85/510333185.db2.gz UVVYEMAYLIJVRH-IBGZPJMESA-N 0 3 357.498 2.516 10 30 FFEEHN N#CCCN(C(=O)CN1CCCN(C2CC2)CC1)c1cccc(Cl)c1 ZINC000195339315 510792190 /nfs/dbraw/zinc/79/21/90/510792190.db2.gz ZEQYVIWZAOOJNA-UHFFFAOYSA-N 0 3 360.889 2.757 10 30 FFEEHN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@H]1CN1CCCCC1)CCC2 ZINC000328660310 511911016 /nfs/dbraw/zinc/91/10/16/511911016.db2.gz VEMRRHOUIMPWGL-ROUUACIJSA-N 0 3 359.518 2.933 10 30 FFEEHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)NC(=O)NCc1cccs1 ZINC000329629391 729798248 /nfs/dbraw/zinc/79/82/48/729798248.db2.gz HMYUDKSAXQLJEB-KGLIPLIRSA-N 0 3 350.488 2.677 10 30 FFEEHN C=CCn1c(C)cc(C(=O)CN2CCN(C[C@@H]3CCCCN3C)CC2)c1C ZINC000109751338 507984288 /nfs/dbraw/zinc/98/42/88/507984288.db2.gz VCRPHSJZHZGCNL-FQEVSTJZSA-N 0 3 372.557 2.576 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H]2c2c(C)nn(C)c2C)CC1 ZINC000114596586 508329552 /nfs/dbraw/zinc/32/95/52/508329552.db2.gz YIZJNHSDEZKFJN-SFHVURJKSA-N 0 3 359.518 2.924 10 30 FFEEHN CCn1cc(C2CCN(CCC(=O)Nc3cccc(C#N)c3)CC2)cn1 ZINC000160458218 508989869 /nfs/dbraw/zinc/98/98/69/508989869.db2.gz AGILAOHTJWKIAL-UHFFFAOYSA-N 0 3 351.454 2.983 10 30 FFEEHN Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000126595726 509099861 /nfs/dbraw/zinc/09/98/61/509099861.db2.gz ZSDMFLSHYUSJGV-GOSISDBHSA-N 0 3 355.486 2.501 10 30 FFEEHN CN(CC(=O)OC(C)(C)C)C1CCN(CCOc2cccc(C#N)c2)CC1 ZINC000191984297 509277207 /nfs/dbraw/zinc/27/72/07/509277207.db2.gz PIZAMKADVAYUBP-UHFFFAOYSA-N 0 3 373.497 2.675 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000190449637 510137800 /nfs/dbraw/zinc/13/78/00/510137800.db2.gz OQOZAFWOZXDFCB-INIZCTEOSA-N 0 3 351.410 2.820 10 30 FFEEHN Cc1ccc(NC(=O)[C@@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)nc1 ZINC000245952721 510224679 /nfs/dbraw/zinc/22/46/79/510224679.db2.gz BKCFXPWGAOOCMG-RTBURBONSA-N 0 3 364.449 2.646 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000190691268 510287693 /nfs/dbraw/zinc/28/76/93/510287693.db2.gz HXCRTKMUCRKNBC-HXUWFJFHSA-N 0 3 363.465 2.617 10 30 FFEEHN N#Cc1ccc([C@H](O)CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000246119117 510304230 /nfs/dbraw/zinc/30/42/30/510304230.db2.gz YIYSPCMPNSZVCV-RTBURBONSA-N 0 3 365.481 2.789 10 30 FFEEHN COc1ccc(NC(=O)NC(=O)CN2C[C@H]3CCCCN3C[C@H]2C)cc1 ZINC000329660658 512083958 /nfs/dbraw/zinc/08/39/58/512083958.db2.gz OQGDCUYTYMQOOP-GDBMZVCRSA-N 0 3 360.458 2.742 10 30 FFEEHN CN1C[C@H](c2noc(Cc3csc(NC(=O)C(C)(C)C)n3)n2)CC1=O ZINC000329708093 512088957 /nfs/dbraw/zinc/08/89/57/512088957.db2.gz KXXNYXKGLQTRCP-SECBINFHSA-N 0 3 363.443 2.697 10 30 FFEEHN CCN1CCC[C@H](NC(=O)NCC#Cc2cccc(C(F)(F)F)c2)C1 ZINC000052521806 507811991 /nfs/dbraw/zinc/81/19/91/507811991.db2.gz OLUWPONAVRJNGL-INIZCTEOSA-N 0 3 353.388 2.840 10 30 FFEEHN N#Cc1cc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)ccc1Cl ZINC000107708716 507864643 /nfs/dbraw/zinc/86/46/43/507864643.db2.gz IZZJHGIIOOKYJQ-HNNXBMFYSA-N 0 3 367.902 2.851 10 30 FFEEHN C=CCc1cc(CN[C@H]2CCCN(c3cccnn3)C2)cc(OC)c1O ZINC000113338285 508261710 /nfs/dbraw/zinc/26/17/10/508261710.db2.gz NVYLAHCVUADWRG-KRWDZBQOSA-N 0 3 354.454 2.678 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@@H](NC(=O)c2ccccc2)[C@H](C)CC)CC1 ZINC000106039328 508389866 /nfs/dbraw/zinc/38/98/66/508389866.db2.gz FUCXWXYJERCXIO-XLIONFOSSA-N 0 3 371.525 2.988 10 30 FFEEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000154586476 508813941 /nfs/dbraw/zinc/81/39/41/508813941.db2.gz GKXLOPSKJURWGI-PXNSSMCTSA-N 0 3 365.481 2.991 10 30 FFEEHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000125775670 509028639 /nfs/dbraw/zinc/02/86/39/509028639.db2.gz DDPHBDDZRUGHFJ-GHMZBOCLSA-N 0 3 359.348 2.636 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000189347364 509531389 /nfs/dbraw/zinc/53/13/89/509531389.db2.gz FRRCSHRWRSXZQN-FQEVSTJZSA-N 0 3 374.488 2.965 10 30 FFEEHN CC[C@@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1CCOC ZINC000180100625 509751266 /nfs/dbraw/zinc/75/12/66/509751266.db2.gz UYVGCLHBGLVJQL-HXUWFJFHSA-N 0 3 367.497 2.501 10 30 FFEEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000245944980 510222038 /nfs/dbraw/zinc/22/20/38/510222038.db2.gz NLKMKHXWCQIRFA-XBPCWFMRSA-N 0 3 371.529 2.975 10 30 FFEEHN C[C@@H](NCCC(=O)Nc1cccc(C#N)c1)c1ccc(S(C)(=O)=O)cc1 ZINC000174697475 510256530 /nfs/dbraw/zinc/25/65/30/510256530.db2.gz RFEHEGKZPVDIQI-CQSZACIVSA-N 0 3 371.462 2.641 10 30 FFEEHN Cc1nc(C[C@@H]2CCCN(CCC(=O)Nc3ccccc3C#N)C2)no1 ZINC000171653841 510284890 /nfs/dbraw/zinc/28/48/90/510284890.db2.gz YAWNMAJTUYISHL-HNNXBMFYSA-N 0 3 353.426 2.533 10 30 FFEEHN N#Cc1ccsc1C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000174853630 510345039 /nfs/dbraw/zinc/34/50/39/510345039.db2.gz JKOOZKSLGBWDRZ-SFHVURJKSA-N 0 3 369.490 2.795 10 30 FFEEHN C[C@H](C#N)Oc1ccc(CN2CCC[C@H](c3nc(N(C)C)no3)C2)cc1 ZINC000194939901 510601658 /nfs/dbraw/zinc/60/16/58/510601658.db2.gz STGXEUQJPWPFIE-ZBFHGGJFSA-N 0 3 355.442 2.806 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000195280895 510758086 /nfs/dbraw/zinc/75/80/86/510758086.db2.gz OVRVTHVLTNXEQN-IBGZPJMESA-N 0 3 350.466 2.786 10 30 FFEEHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000247059333 510821107 /nfs/dbraw/zinc/82/11/07/510821107.db2.gz GRQZCOLSVGPIIK-CVEARBPZSA-N 0 3 358.511 2.657 10 30 FFEEHN CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000500406313 515692746 /nfs/dbraw/zinc/69/27/46/515692746.db2.gz CADHBYGHIGMYEI-OXJNMPFZSA-N 0 3 355.461 2.946 10 30 FFEEHN CC(C)(C)OC(=O)NC[C@@H]1CCCN1CCC(=O)Nc1ccccc1C#N ZINC000072824230 507858807 /nfs/dbraw/zinc/85/88/07/507858807.db2.gz BEWZQQHPYMLGGB-INIZCTEOSA-N 0 3 372.469 2.876 10 30 FFEEHN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)cc1Cl ZINC000107666619 507862163 /nfs/dbraw/zinc/86/21/63/507862163.db2.gz HTVZZJIZAIELPB-MRXNPFEDSA-N 0 3 374.872 2.627 10 30 FFEEHN CCc1nc(CNC(=O)N(CCN(C)C)Cc2ccc(C#N)cc2)cs1 ZINC000107854004 507870060 /nfs/dbraw/zinc/87/00/60/507870060.db2.gz ITJZGDCAFVJRSB-UHFFFAOYSA-N 0 3 371.510 2.851 10 30 FFEEHN C[C@@H](C#N)Oc1ccc(CN2CCC(c3ccnn3CCO)CC2)cc1 ZINC000092811182 508102317 /nfs/dbraw/zinc/10/23/17/508102317.db2.gz UWKJIDRLVJBYEH-INIZCTEOSA-N 0 3 354.454 2.546 10 30 FFEEHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@]2(O)CCCC[C@@H]2C1 ZINC000140341732 508803515 /nfs/dbraw/zinc/80/35/15/508803515.db2.gz PREPIRVKBSFHJU-KORINWBMSA-N 0 3 361.530 2.933 10 30 FFEEHN CN1C(=O)C[C@H](NC[C@@H](O)c2ccc(C#N)cc2)[C@H]1c1ccc(Cl)cc1 ZINC000249134963 509617278 /nfs/dbraw/zinc/61/72/78/509617278.db2.gz YOQAHGXDRQTWFB-NLWGTHIKSA-N 0 3 369.852 2.807 10 30 FFEEHN CC[C@H]1CN2CCC[C@H]2CN1C(=O)C(=O)Nc1ccc(C(C)(C)C#N)cc1 ZINC000249151255 509622476 /nfs/dbraw/zinc/62/24/76/509622476.db2.gz HJBFAZDBNIDDSD-ROUUACIJSA-N 0 3 368.481 2.511 10 30 FFEEHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@H](OCC)[C@@H]2Oc2ccccc2)CC1 ZINC000251648318 509815238 /nfs/dbraw/zinc/81/52/38/509815238.db2.gz IUOGYBNYQZAHGI-HSALFYBXSA-N 0 3 373.497 2.561 10 30 FFEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@H]1c1cnn(C)c1)C(C)C ZINC000170894505 509836985 /nfs/dbraw/zinc/83/69/85/509836985.db2.gz KCKAGZWXSHMPBT-RBUKOAKNSA-N 0 3 359.518 2.965 10 30 FFEEHN COc1ccc(CN2CC[C@@H](CN(C)Cc3cccnc3)C2)cc1C#N ZINC000190488291 510161330 /nfs/dbraw/zinc/16/13/30/510161330.db2.gz NBYWCOIJNLXRDZ-IBGZPJMESA-N 0 3 350.466 2.916 10 30 FFEEHN C=CCN1CCC(NC(=O)N2CCC[C@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000174776650 510306551 /nfs/dbraw/zinc/30/65/51/510306551.db2.gz VGIYJOPUOMRESO-VQTJNVASSA-N 0 3 357.498 2.935 10 30 FFEEHN CN(C)C1(CNC(=O)[C@@H]2CCO[C@H]2c2nccn2C)Cc2ccccc2C1 ZINC000328921782 511951465 /nfs/dbraw/zinc/95/14/65/511951465.db2.gz BRYBXKBQGQEIBY-QZTJIDSGSA-N 0 3 368.481 2.553 10 30 FFEEHN COc1ccccc1OC[C@H](C)CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000329313940 512024958 /nfs/dbraw/zinc/02/49/58/512024958.db2.gz AVVNEQTZNHEDFZ-IXDOHACOSA-N 0 3 361.486 2.650 10 30 FFEEHN CN(c1cc(Nc2cnc(C#N)cn2)ncc1Cl)C1CCN(C)CC1 ZINC000098178683 222230632 /nfs/dbraw/zinc/23/06/32/222230632.db2.gz HLDBXTYLGQKBNQ-UHFFFAOYSA-N 0 3 357.849 2.671 10 30 FFEEHN C[C@@H](C#N)Oc1ccc(CN2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000093272520 508132307 /nfs/dbraw/zinc/13/23/07/508132307.db2.gz YVTHLBRTJUWWAT-INIZCTEOSA-N 0 3 351.454 2.868 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N[C@H](c2nnc3ccccn32)C(C)C)CC1 ZINC000106269334 508398754 /nfs/dbraw/zinc/39/87/54/508398754.db2.gz CUKMDTHQQDMDAR-SFHVURJKSA-N 0 3 370.501 2.766 10 30 FFEEHN C[C@H](C#N)Oc1ccc(CNC[C@@H]2C[C@H](O)CN2Cc2ccccc2)cc1 ZINC000124370151 508822029 /nfs/dbraw/zinc/82/20/29/508822029.db2.gz SBXFZHQMQZMNFS-QMMLZNLJSA-N 0 3 365.477 2.702 10 30 FFEEHN CC[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CCN1CCOC ZINC000159928715 508912644 /nfs/dbraw/zinc/91/26/44/508912644.db2.gz NQWCSUHVNCVCNV-QGZVFWFLSA-N 0 3 370.415 2.979 10 30 FFEEHN C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@@H]3CCCN3C[C@@H]2CC)c1 ZINC000249152694 509624290 /nfs/dbraw/zinc/62/42/90/509624290.db2.gz HQEUWGQLMLWZCF-ROUUACIJSA-N 0 3 371.481 2.665 10 30 FFEEHN C=CCOc1cccc(CN[C@@H]2CCCN(c3cc(C)nn3C)C2=O)c1 ZINC000173849894 509815203 /nfs/dbraw/zinc/81/52/03/509815203.db2.gz DTGDGZMHTFVYOQ-GOSISDBHSA-N 0 3 354.454 2.579 10 30 FFEEHN C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@H]2CC)c1 ZINC000190353079 510080728 /nfs/dbraw/zinc/08/07/28/510080728.db2.gz HQEUWGQLMLWZCF-QZTJIDSGSA-N 0 3 371.481 2.665 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000190583816 510222799 /nfs/dbraw/zinc/22/27/99/510222799.db2.gz LPLDRZMLZCEPRB-INIZCTEOSA-N 0 3 352.413 2.686 10 30 FFEEHN C=C(C)[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000333464144 511252671 /nfs/dbraw/zinc/25/26/71/511252671.db2.gz QGPOBJYOHHYLNY-MUGJNUQGSA-N 0 3 372.513 2.697 10 30 FFEEHN C[C@@H]1C[C@H](NC(=O)N2CCC(CCN3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000329121060 511987462 /nfs/dbraw/zinc/98/74/62/511987462.db2.gz VYXJVODFUVMLGJ-VUHPKUFZSA-N 0 3 367.534 2.679 10 30 FFEEHN C[C@@H]1CN(Cc2ccccc2)CC[C@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329627332 512078809 /nfs/dbraw/zinc/07/88/09/512078809.db2.gz GXNPPUSUSYQMJM-NXWXRZEISA-N 0 3 370.497 2.862 10 30 FFEEHN O=C(NC[C@@H]1CCCN(Cc2cccs2)C1)N1CC[C@@H](CCO)C1 ZINC000329774931 512096569 /nfs/dbraw/zinc/09/65/69/512096569.db2.gz MPZJPNUUKBFCOI-HOTGVXAUSA-N 0 3 351.516 2.578 10 30 FFEEHN C=CCN1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@@H](C)CC)CC1 ZINC000171714943 729011402 /nfs/dbraw/zinc/01/14/02/729011402.db2.gz KOUXVSHULFUBLQ-GOEBONIOSA-N 0 3 353.507 2.692 10 30 FFEEHN CCN(CN1CC(=O)N(Cc2ccccc2C#N)C1=O)C1CCCCC1 ZINC000102388525 1003725469 /nfs/dbraw/zinc/72/54/69/1003725469.db2.gz GZSSBFMULNGTPI-UHFFFAOYSA-N 0 3 354.454 2.935 10 30 FFEEHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2C[C@@H](O)c2cccs2)cc1 ZINC000252652244 251311072 /nfs/dbraw/zinc/31/10/72/251311072.db2.gz IXMWSVBJCSCRAA-ZHALLVOQSA-N 0 3 372.490 2.948 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@H](NC(=O)c2ccccc2)[C@H](C)CC)CC1 ZINC000106039333 508390060 /nfs/dbraw/zinc/39/00/60/508390060.db2.gz FUCXWXYJERCXIO-YLJYHZDGSA-N 0 3 371.525 2.988 10 30 FFEEHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H](C)c1nnc2n1CCCC2)C(C)C ZINC000153258404 508565610 /nfs/dbraw/zinc/56/56/10/508565610.db2.gz RSXBTYGDDIEZPP-SJORKVTESA-N 0 3 374.533 2.673 10 30 FFEEHN CN(c1cccnn1)C1CCN(CCCOc2ccc(C#N)cc2)CC1 ZINC000170941103 509859121 /nfs/dbraw/zinc/85/91/21/509859121.db2.gz NOYPRKFAQKBPIR-UHFFFAOYSA-N 0 3 351.454 2.718 10 30 FFEEHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@@H](N(C)C)C2)cc1 ZINC000171081333 509930128 /nfs/dbraw/zinc/93/01/28/509930128.db2.gz DEMXPMKCSUUPKY-GOSISDBHSA-N 0 3 356.470 2.669 10 30 FFEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000190556994 510204843 /nfs/dbraw/zinc/20/48/43/510204843.db2.gz DDMODUSUODECOB-ZDUSSCGKSA-N 0 3 360.508 2.979 10 30 FFEEHN CC[C@@H]1CN(Cc2ccc(C#N)cc2Br)CCN1CCOC ZINC000181095124 510272963 /nfs/dbraw/zinc/27/29/63/510272963.db2.gz WPGQZMKCLFVRCY-MRXNPFEDSA-N 0 3 366.303 2.863 10 30 FFEEHN N#Cc1c2c(sc1NC(=O)CCN1CCN3CCCC[C@@H]3C1)CCC2 ZINC000246133091 510311220 /nfs/dbraw/zinc/31/12/20/510311220.db2.gz CPNSBYNACMNHKD-CQSZACIVSA-N 0 3 358.511 2.607 10 30 FFEEHN CCc1nc2n(n1)C[C@@H](NCc1cccn1Cc1ccccc1C#N)CC2 ZINC000187836470 510463384 /nfs/dbraw/zinc/46/33/84/510463384.db2.gz QUBRZWCOQJOOMN-SFHVURJKSA-N 0 3 360.465 2.667 10 30 FFEEHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000281576365 511896676 /nfs/dbraw/zinc/89/66/76/511896676.db2.gz ZLWVZYYDBCWATK-PQLHGUBISA-N 0 3 367.493 2.925 10 30 FFEEHN CC(C)c1nc([C@@H]2CCCN(C(=O)NC3CCN(C4CC4)CC3)C2)no1 ZINC000328893332 511946660 /nfs/dbraw/zinc/94/66/60/511946660.db2.gz UIIYQPRXMVMZNB-CQSZACIVSA-N 0 3 361.490 2.913 10 30 FFEEHN C[C@@H]1C[C@H](CNC(=O)N2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000329133782 511990368 /nfs/dbraw/zinc/99/03/68/511990368.db2.gz ZEXKAVPQTQMDQU-VUHPKUFZSA-N 0 3 367.534 2.537 10 30 FFEEHN C=CCOc1cccc(NC(=O)N2CCCC[C@@H](N3CCN(C)CC3)C2)c1 ZINC000126036246 981183237 /nfs/dbraw/zinc/18/32/37/981183237.db2.gz LBVKHGIXOKXDGE-LJQANCHMSA-N 0 3 372.513 2.885 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@H](NC(=O)c2ccccc2)[C@@H](C)CC)CC1 ZINC000106039337 508390150 /nfs/dbraw/zinc/39/01/50/508390150.db2.gz FUCXWXYJERCXIO-FXAWDEMLSA-N 0 3 371.525 2.988 10 30 FFEEHN N#CCCN(C(=O)CN[C@H]1CCCC[C@@H]1n1cccn1)c1ccccc1 ZINC000128418216 508589640 /nfs/dbraw/zinc/58/96/40/508589640.db2.gz UMCBCCPGVGJKTJ-OALUTQOASA-N 0 3 351.454 2.903 10 30 FFEEHN COCCN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@@H]1C ZINC000120786978 509064252 /nfs/dbraw/zinc/06/42/52/509064252.db2.gz IOJQRAWLUAGJNM-SFHVURJKSA-N 0 3 367.497 2.616 10 30 FFEEHN C[C@H](NCC(=O)NC1(C#N)CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180675828 510049342 /nfs/dbraw/zinc/04/93/42/510049342.db2.gz QHEMARUGKUQAPV-INIZCTEOSA-N 0 3 351.454 2.866 10 30 FFEEHN C[C@H](C#N)Oc1ccc(CN(C)[C@H]2CCCN(c3cccnn3)C2)cc1 ZINC000245693644 510090517 /nfs/dbraw/zinc/09/05/17/510090517.db2.gz BXJUQEPJNGJBEJ-AEFFLSMTSA-N 0 3 351.454 2.868 10 30 FFEEHN C#CCC(C)(C)C(=O)N(C)CC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000184430024 510320767 /nfs/dbraw/zinc/32/07/67/510320767.db2.gz BYVCYCZSDWWRRL-HXUWFJFHSA-N 0 3 356.510 2.940 10 30 FFEEHN CCN1CCC[C@H]1CN(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000175338567 510596338 /nfs/dbraw/zinc/59/63/38/510596338.db2.gz WKQXTKCRMLEFLV-IBGZPJMESA-N 0 3 356.514 2.966 10 30 FFEEHN C=C(C)[C@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000333464139 511252440 /nfs/dbraw/zinc/25/24/40/511252440.db2.gz QGPOBJYOHHYLNY-FUMNGEBKSA-N 0 3 372.513 2.697 10 30 FFEEHN Cc1cn2c(n1)[C@H](CNC(=O)N1CCC[C@@H]1CN1CCCCC1)CCC2 ZINC000328660311 511910907 /nfs/dbraw/zinc/91/09/07/511910907.db2.gz VEMRRHOUIMPWGL-ZWKOTPCHSA-N 0 3 359.518 2.933 10 30 FFEEHN C=CCN1CCC(NC(=O)c2cc3oc(Br)cc3[nH]2)CC1 ZINC000223959579 729547570 /nfs/dbraw/zinc/54/75/70/729547570.db2.gz VLWBJIKLKAJISE-UHFFFAOYSA-N 0 3 352.232 2.904 10 30 FFEEHN C=CCC[C@@H](CN(C)CCN(C)C)Oc1ccc(-c2nc(C)no2)cn1 ZINC000072453559 210066107 /nfs/dbraw/zinc/06/61/07/210066107.db2.gz DLOLKQZWDKAHIN-KRWDZBQOSA-N 0 3 359.474 2.647 10 30 FFEEHN C=CCC[C@@H](CN1CCCOCC1)Oc1ccc(Cn2ccnc2)cn1 ZINC000072411679 210066142 /nfs/dbraw/zinc/06/61/42/210066142.db2.gz HOUVQCCNNVKJAP-IBGZPJMESA-N 0 3 356.470 2.762 10 30 FFEEHN CCCCCCCCC(=O)NCCNC[C@@H](O)COc1ccccc1 ZINC000043664377 506765599 /nfs/dbraw/zinc/76/55/99/506765599.db2.gz SGCLFLFTRSYKHC-GOSISDBHSA-N 0 3 350.503 2.883 10 30 FFEEHN CCc1nnc(Nc2cnn(CCN3CCCCC3)c2)c(C#N)c1CC ZINC000092978268 508111752 /nfs/dbraw/zinc/11/17/52/508111752.db2.gz MVENDKASZICWER-UHFFFAOYSA-N 0 3 353.474 2.899 10 30 FFEEHN C=CCN1CCC(NC(=O)N2CCCC[C@H]2c2nnc3n2CCCC3)CC1 ZINC000182737201 509400655 /nfs/dbraw/zinc/40/06/55/509400655.db2.gz DWBRBDAJWDOLAH-KRWDZBQOSA-N 0 3 372.517 2.501 10 30 FFEEHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@H]1CCCc2cccnc21 ZINC000192460579 509528042 /nfs/dbraw/zinc/52/80/42/509528042.db2.gz YWRZUOQFGIOOJN-FQEVSTJZSA-N 0 3 362.477 2.964 10 30 FFEEHN CN(C)C[C@@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000170837959 509802787 /nfs/dbraw/zinc/80/27/87/509802787.db2.gz GPYBNWOSCQSXPO-LJQANCHMSA-N 0 3 352.438 2.691 10 30 FFEEHN C[C@H](C#N)CSc1ccccc1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000170987724 509878127 /nfs/dbraw/zinc/87/81/27/509878127.db2.gz GRQZCOLSVGPIIK-HZPDHXFCSA-N 0 3 358.511 2.657 10 30 FFEEHN N#Cc1ccccc1Cn1cccc1CNCc1cccnc1-n1cncn1 ZINC000188247855 510668657 /nfs/dbraw/zinc/66/86/57/510668657.db2.gz ABAHHBHRNZPUTJ-UHFFFAOYSA-N 0 3 369.432 2.674 10 30 FFEEHN C[C@@H](NCCC(=O)Nc1ccc(C#N)cc1)c1ccc(S(C)(=O)=O)cc1 ZINC000182192582 510807766 /nfs/dbraw/zinc/80/77/66/510807766.db2.gz MTDNXKHLFXPPNT-CQSZACIVSA-N 0 3 371.462 2.641 10 30 FFEEHN CC(C)[C@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1)N1CCCCC1 ZINC000329975567 510891437 /nfs/dbraw/zinc/89/14/37/510891437.db2.gz DTILKCCEUVJREP-XYJFISCASA-N 0 3 363.481 2.860 10 30 FFEEHN C[C@H](N[C@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000330259540 510949289 /nfs/dbraw/zinc/94/92/89/510949289.db2.gz NMHNJXAHQAMDJI-SOVGHPHASA-N 0 3 357.454 2.947 10 30 FFEEHN CC1CCC(N2CCN(C(=O)NCc3cn4c(n3)CCCC4)CC2)CC1 ZINC000329357400 967660739 /nfs/dbraw/zinc/66/07/39/967660739.db2.gz ZUHWEUXZMIBWLH-UHFFFAOYSA-N 0 3 359.518 2.830 10 30 FFEEHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@H](CC(C)C)CN(C)C)c1 ZINC000067531386 506912788 /nfs/dbraw/zinc/91/27/88/506912788.db2.gz KSUJTKIMYHMXMM-QGZVFWFLSA-N 0 3 361.486 2.673 10 30 FFEEHN Cc1ccc(N2CCCN(Cc3ccc(N(C)CCC#N)cc3)CC2)nn1 ZINC000093272073 508132099 /nfs/dbraw/zinc/13/20/99/508132099.db2.gz INQAUNIJQZNTQC-UHFFFAOYSA-N 0 3 364.497 2.847 10 30 FFEEHN C=C(C)[C@@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(F)c(F)c1 ZINC000185839689 509380672 /nfs/dbraw/zinc/38/06/72/509380672.db2.gz ZYQGUZLOXDHUNH-MAUKXSAKSA-N 0 3 367.440 2.728 10 30 FFEEHN COC(=O)[C@@H]1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000248960183 509556297 /nfs/dbraw/zinc/55/62/97/509556297.db2.gz AZIRLRRCIIVWEE-RDTXWAMCSA-N 0 3 352.438 2.590 10 30 FFEEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)c1cccc(C#N)n1 ZINC000174739647 510283119 /nfs/dbraw/zinc/28/31/19/510283119.db2.gz SLXBJZZTHBQDMD-HXUWFJFHSA-N 0 3 350.466 2.835 10 30 FFEEHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCN2CCC[C@H]2C1 ZINC000171899801 510438222 /nfs/dbraw/zinc/43/82/22/510438222.db2.gz LWYIXVROPWNUBX-INIZCTEOSA-N 0 3 351.372 2.547 10 30 FFEEHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000247642061 510867561 /nfs/dbraw/zinc/86/75/61/510867561.db2.gz TVWRGIPKLMJLMK-KCZVDYSFSA-N 0 3 366.461 2.886 10 30 FFEEHN C[C@]1(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)CCCNC1=O ZINC000330287430 510958197 /nfs/dbraw/zinc/95/81/97/510958197.db2.gz BELWWWGNQZYZIU-PXNSSMCTSA-N 0 3 359.470 2.856 10 30 FFEEHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCN(C)[C@H]2c2ccccc2)no1 ZINC000328802035 511933894 /nfs/dbraw/zinc/93/38/94/511933894.db2.gz AOZQXCORMIUKGD-IKGGRYGDSA-N 0 3 355.442 2.874 10 30 FFEEHN C[C@H](CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1nc(-c2ccccc2)no1 ZINC000329548631 512068632 /nfs/dbraw/zinc/06/86/32/512068632.db2.gz OUQPHEXXXZDVKO-VYDXJSESSA-N 0 3 369.469 2.780 10 30 FFEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@H](c3noc(C4CC4)n3)C2)C1 ZINC000329830802 512102711 /nfs/dbraw/zinc/10/27/11/512102711.db2.gz SNNBRYIMDUCIGJ-KBMXLJTQSA-N 0 3 361.490 2.769 10 30 FFEEHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000407961216 512975278 /nfs/dbraw/zinc/97/52/78/512975278.db2.gz BUGIAJBRRBPNTG-MKXGPGLRSA-N 0 3 361.530 2.933 10 30 FFEEHN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000286851041 257058405 /nfs/dbraw/zinc/05/84/05/257058405.db2.gz VJBSTMLMDOPPLQ-OXJNMPFZSA-N 0 3 355.461 2.946 10 30 FFEEHN Cc1cc(N(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(C#N)c(C)n1 ZINC000302395460 258100735 /nfs/dbraw/zinc/10/07/35/258100735.db2.gz CVRSJWIYZXDZTP-OAQYLSRUSA-N 0 3 350.466 2.643 10 30 FFEEHN C=CCN(CC=C)[C@H](CNC(=O)N[C@H]1CCCn2nc(CC)nc21)C(C)C ZINC000087249990 508344242 /nfs/dbraw/zinc/34/42/42/508344242.db2.gz WBELGGYRBNGDHY-DLBZAZTESA-N 0 3 374.533 2.673 10 30 FFEEHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H]1CCCn2nc(CC)nc21)C(C)C ZINC000087249991 508344282 /nfs/dbraw/zinc/34/42/82/508344282.db2.gz WBELGGYRBNGDHY-IAGOWNOFSA-N 0 3 374.533 2.673 10 30 FFEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@@H]1c1cnn(C)c1)C(C)C ZINC000170894501 509837390 /nfs/dbraw/zinc/83/73/90/509837390.db2.gz KCKAGZWXSHMPBT-MOPGFXCFSA-N 0 3 359.518 2.965 10 30 FFEEHN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000329300769 512022898 /nfs/dbraw/zinc/02/28/98/512022898.db2.gz VUDVAUHPATYIFB-HYVNUMGLSA-N 0 3 359.470 2.676 10 30 FFEEHN O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329325301 512027969 /nfs/dbraw/zinc/02/79/69/512027969.db2.gz WBHJZCMGWWQEPA-KZNAEPCWSA-N 0 3 356.470 2.616 10 30 FFEEHN O=C(C[C@@H]1CCCCNC1=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000329815549 512100522 /nfs/dbraw/zinc/10/05/22/512100522.db2.gz DNTRYHWTCTWVKI-WMZOPIPTSA-N 0 3 359.470 2.509 10 30 FFEEHN COCCCNC(=O)C(C#N)C(=O)[C@@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000171034666 728995721 /nfs/dbraw/zinc/99/57/21/728995721.db2.gz JTDHOQQPYHDUEB-JHJVBQTASA-N 0 3 369.248 2.958 10 30 FFEEHN C=CCN1CC[C@]2(CN(CCCc3ccccc3)CCN2C)CCC1=O ZINC000091657216 210073047 /nfs/dbraw/zinc/07/30/47/210073047.db2.gz AFZUBISXOAAOSJ-QFIPXVFZSA-N 0 3 355.526 2.804 10 30 FFEEHN C#CCCOc1ccc(CN2CCC(c3ccnn3CCO)CC2)cc1 ZINC000092811275 508102327 /nfs/dbraw/zinc/10/23/27/508102327.db2.gz ZHLWPHLXRXTZDK-UHFFFAOYSA-N 0 3 353.466 2.657 10 30 FFEEHN C=CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1cccc(Br)c1 ZINC000075671803 508126478 /nfs/dbraw/zinc/12/64/78/508126478.db2.gz LULCMYNLICZPLP-QWRGUYRKSA-N 0 3 354.248 2.500 10 30 FFEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC[C@H]1c1cnn(C)c1)C(C)C ZINC000170894508 509836345 /nfs/dbraw/zinc/83/63/45/509836345.db2.gz KCKAGZWXSHMPBT-OALUTQOASA-N 0 3 359.518 2.965 10 30 FFEEHN CC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000177130199 509890402 /nfs/dbraw/zinc/89/04/02/509890402.db2.gz DVZHEGKUCDDXKI-CRAIPNDOSA-N 0 3 354.416 2.834 10 30 FFEEHN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C[C@@H](O)c2ccc(C#N)cc2)C1 ZINC000245905991 510200335 /nfs/dbraw/zinc/20/03/35/510200335.db2.gz CGBYJXZKIKXJNT-PWRODBHTSA-N 0 3 364.445 2.870 10 30 FFEEHN C#CCOc1ccc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)cc1 ZINC000190619552 510242781 /nfs/dbraw/zinc/24/27/81/510242781.db2.gz YCQYKKXPAXGTSE-LJQANCHMSA-N 0 3 363.461 2.688 10 30 FFEEHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN3CCC[C@H]3C2)c1 ZINC000246355837 510444736 /nfs/dbraw/zinc/44/47/36/510444736.db2.gz MUGTTYXUSDWZRN-MOPGFXCFSA-N 0 3 354.498 2.719 10 30 FFEEHN CCc1nc2n(n1)CCC[C@@H]2NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000181881243 510640145 /nfs/dbraw/zinc/64/01/45/510640145.db2.gz UTQYLGRBXTYWSW-IBGZPJMESA-N 0 3 364.497 2.801 10 30 FFEEHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329427732 512044657 /nfs/dbraw/zinc/04/46/57/512044657.db2.gz GWZFLOJYCBHBNL-RCCFBDPRSA-N 0 3 356.470 2.616 10 30 FFEEHN C=CCC[C@@H](CN(C)CCN(C)C)Oc1cc(-c2nc(C)no2)ccn1 ZINC000072409502 507784742 /nfs/dbraw/zinc/78/47/42/507784742.db2.gz BGKCJOBNXMIVCB-KRWDZBQOSA-N 0 3 359.474 2.647 10 30 FFEEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(C#N)c(C(F)(F)F)c1 ZINC000083537296 508247220 /nfs/dbraw/zinc/24/72/20/508247220.db2.gz RNLVHLCMPHRYGL-NSHDSACASA-N 0 3 363.405 2.586 10 30 FFEEHN CN(C[C@H](O)c1ccc(C#N)cc1)C[C@@H](c1cccs1)N1CCOCC1 ZINC000127464529 508453956 /nfs/dbraw/zinc/45/39/56/508453956.db2.gz CMXCPBHYRKEXJJ-OALUTQOASA-N 0 3 371.506 2.658 10 30 FFEEHN Cc1ccc(C#N)cc1NC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000126595507 509100147 /nfs/dbraw/zinc/10/01/47/509100147.db2.gz ZSDMFLSHYUSJGV-SFHVURJKSA-N 0 3 355.486 2.501 10 30 FFEEHN CN(C)CCN(Cc1cccc(C#N)c1)C(=O)[C@@H]1CCCc2cccnc21 ZINC000192460570 509528241 /nfs/dbraw/zinc/52/82/41/509528241.db2.gz YWRZUOQFGIOOJN-HXUWFJFHSA-N 0 3 362.477 2.964 10 30 FFEEHN Cc1ccc(NC(=O)CCNCc2cn(C)nc2-c2ccc(C#N)cc2)nc1 ZINC000180210119 509814432 /nfs/dbraw/zinc/81/44/32/509814432.db2.gz KKUHECADMONZPY-UHFFFAOYSA-N 0 3 374.448 2.781 10 30 FFEEHN COc1cc(C#N)ccc1OCCN1CCCN(c2ccccn2)CC1 ZINC000183822733 509993592 /nfs/dbraw/zinc/99/35/92/509993592.db2.gz UPDSINYIHXKLBA-UHFFFAOYSA-N 0 3 352.438 2.553 10 30 FFEEHN CCOCCN1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@H]1C ZINC000245889635 510189175 /nfs/dbraw/zinc/18/91/75/510189175.db2.gz CBPRIQVQQDEKLW-QGZVFWFLSA-N 0 3 367.497 2.501 10 30 FFEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000190548569 510197845 /nfs/dbraw/zinc/19/78/45/510197845.db2.gz COYUSKJASDHBCJ-SFHVURJKSA-N 0 3 353.491 2.784 10 30 FFEEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177700847 510204471 /nfs/dbraw/zinc/20/44/71/510204471.db2.gz RMRBPWXWZHYJSD-KBPBESRZSA-N 0 3 360.527 2.852 10 30 FFEEHN N#Cc1ccccc1OCc1ccc(C(=O)N2CCN3CCC[C@@H]3C2)o1 ZINC000195335639 510790140 /nfs/dbraw/zinc/79/01/40/510790140.db2.gz IRGMGANQHANZPT-MRXNPFEDSA-N 0 3 351.406 2.650 10 30 FFEEHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000585804545 518609830 /nfs/dbraw/zinc/60/98/30/518609830.db2.gz KDOYIPGXARGHSQ-OXJNMPFZSA-N 0 3 355.461 2.946 10 30 FFEEHN Cc1cc(N(C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)c(C#N)c(C)n1 ZINC000328634220 223123197 /nfs/dbraw/zinc/12/31/97/223123197.db2.gz TULJZPOSAGYOQC-OXJNMPFZSA-N 0 3 352.486 2.823 10 30 FFEEHN Cc1nc(C[C@@H]2CCCN(CCC(=O)Nc3sccc3C#N)C2)no1 ZINC000103150213 250135952 /nfs/dbraw/zinc/13/59/52/250135952.db2.gz XHOJEOKWSAYICK-ZDUSSCGKSA-N 0 3 359.455 2.595 10 30 FFEEHN N#CCCn1cc(CN2CCC(n3cncn3)CC2)c(-c2ccccc2)n1 ZINC000092647649 508089306 /nfs/dbraw/zinc/08/93/06/508089306.db2.gz KXPGLPUUHRFCFD-UHFFFAOYSA-N 0 3 361.453 2.892 10 30 FFEEHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102928830 508289460 /nfs/dbraw/zinc/28/94/60/508289460.db2.gz OXUBGAQAUVGHNQ-IEBWSBKVSA-N 0 3 366.417 2.864 10 30 FFEEHN CC(C)C[C@H](CN(C)C)NC(=O)CCCC(=O)Nc1ccccc1C#N ZINC000151305994 508996545 /nfs/dbraw/zinc/99/65/45/508996545.db2.gz FLEIOKVLSRJRBU-QGZVFWFLSA-N 0 3 358.486 2.760 10 30 FFEEHN Cc1ccc(OC2CCN(C[C@@H](O)COc3ccc(C#N)cc3)CC2)nc1 ZINC000182851394 509458159 /nfs/dbraw/zinc/45/81/59/509458159.db2.gz WSRCKAUGKFJMIE-GOSISDBHSA-N 0 3 367.449 2.545 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000177700838 510205658 /nfs/dbraw/zinc/20/56/58/510205658.db2.gz RMRBPWXWZHYJSD-UONOGXRCSA-N 0 3 360.527 2.852 10 30 FFEEHN Cc1ccc(NC(=O)[C@H]2CCCN(C[C@@H](O)c3ccc(C#N)cc3)C2)nc1 ZINC000245952714 510224620 /nfs/dbraw/zinc/22/46/20/510224620.db2.gz BKCFXPWGAOOCMG-RBUKOAKNSA-N 0 3 364.449 2.646 10 30 FFEEHN C=C(C)COCCNC(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190727443 510310913 /nfs/dbraw/zinc/31/09/13/510310913.db2.gz MBFFOQKPALEPSB-MRXNPFEDSA-N 0 3 366.531 2.508 10 30 FFEEHN CC(C)c1nc([C@H]2CCCN(C(=O)NC3CCN(C4CC4)CC3)C2)no1 ZINC000328893331 511946836 /nfs/dbraw/zinc/94/68/36/511946836.db2.gz UIIYQPRXMVMZNB-AWEZNQCLSA-N 0 3 361.490 2.913 10 30 FFEEHN CC(C)CN1CCN(C(=O)N[C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000329283716 967616343 /nfs/dbraw/zinc/61/63/43/967616343.db2.gz OCSAELCJDOZNDI-INIZCTEOSA-N 0 3 361.534 2.683 10 30 FFEEHN C#CCCOc1ccc(CN2CCCN(c3ccc(C)nn3)CC2)cc1 ZINC000093271967 508131991 /nfs/dbraw/zinc/13/19/91/508131991.db2.gz MMFVSJNPPHHQDE-UHFFFAOYSA-N 0 3 350.466 2.899 10 30 FFEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)C(C)C ZINC000116531276 508525790 /nfs/dbraw/zinc/52/57/90/508525790.db2.gz DHHYEEPOZKKZAH-PKOBYXMFSA-N 0 3 359.518 2.618 10 30 FFEEHN CCN1CCC[C@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000184609152 510415451 /nfs/dbraw/zinc/41/54/51/510415451.db2.gz YHQYLAMSNPGEOA-INIZCTEOSA-N 0 3 360.458 2.531 10 30 FFEEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)Cc1cccc(OCC#N)c1 ZINC000182094516 510754332 /nfs/dbraw/zinc/75/43/32/510754332.db2.gz BTUVJGYPALSZTI-KRWDZBQOSA-N 0 3 351.450 2.768 10 30 FFEEHN COc1cc(C#N)ccc1OCCN[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC000182198563 510808409 /nfs/dbraw/zinc/80/84/09/510808409.db2.gz NTSFLKHTAGFRLH-CQSZACIVSA-N 0 3 374.462 2.700 10 30 FFEEHN CN(C[C@H]1CCCN(C)C1)C(=O)N[C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329336900 512029596 /nfs/dbraw/zinc/02/95/96/512029596.db2.gz PLKVFXIPIIIRTL-JKSUJKDBSA-N 0 3 361.534 2.683 10 30 FFEEHN N#Cc1cnc2ccccc2c1NC[C@H](O)CN1CCc2ccccc2C1 ZINC000301568508 258056515 /nfs/dbraw/zinc/05/65/15/258056515.db2.gz ZTSOJSBQQFLSBL-IBGZPJMESA-N 0 3 358.445 2.938 10 30 FFEEHN CC(C)C[C@H](CN(C)C)NC(=O)N1CCCN(c2ccccc2C#N)CC1 ZINC000079495622 507968041 /nfs/dbraw/zinc/96/80/41/507968041.db2.gz TWVUYIMZWQDBAA-LJQANCHMSA-N 0 3 371.529 2.756 10 30 FFEEHN Cc1ccc(N2CCCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)nn1 ZINC000093271746 508132177 /nfs/dbraw/zinc/13/21/77/508132177.db2.gz NBWLLJITSMZCNS-KRWDZBQOSA-N 0 3 351.454 2.788 10 30 FFEEHN COC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000158597769 508726473 /nfs/dbraw/zinc/72/64/73/508726473.db2.gz CGBYJXZKIKXJNT-NJYVYQBISA-N 0 3 364.445 2.870 10 30 FFEEHN CCN1CCC[C@H](NC(=O)NCC#Cc2ccc(C(F)(F)F)cc2)C1 ZINC000175991939 509259874 /nfs/dbraw/zinc/25/98/74/509259874.db2.gz CLFAYMLUNZWWMJ-INIZCTEOSA-N 0 3 353.388 2.840 10 30 FFEEHN C=CCN1CCC(NC(=O)N2CCCC[C@@H]2c2nnc3n2CCCC3)CC1 ZINC000182737176 509401270 /nfs/dbraw/zinc/40/12/70/509401270.db2.gz DWBRBDAJWDOLAH-QGZVFWFLSA-N 0 3 372.517 2.501 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)NC2CCN(c3ccc(C)cn3)CC2)CC1 ZINC000176499637 509546562 /nfs/dbraw/zinc/54/65/62/509546562.db2.gz CXRGBTAZCUIOKN-UHFFFAOYSA-N 0 3 371.529 2.699 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000190449701 510138095 /nfs/dbraw/zinc/13/80/95/510138095.db2.gz VTHICKUGZSRKPL-QGZVFWFLSA-N 0 3 351.410 2.820 10 30 FFEEHN C[C@H](NC[C@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000245948166 510223096 /nfs/dbraw/zinc/22/30/96/510223096.db2.gz VYZNPZPMQAFWPC-IOMROCGXSA-N 0 3 365.477 2.875 10 30 FFEEHN C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195290766 510764191 /nfs/dbraw/zinc/76/41/91/510764191.db2.gz XDYQLUAVGFYNPA-UYAOXDASSA-N 0 3 358.530 2.648 10 30 FFEEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000329393339 512039811 /nfs/dbraw/zinc/03/98/11/512039811.db2.gz UQTQXANTWNBEGZ-PBHICJAKSA-N 0 3 357.454 2.759 10 30 FFEEHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NC(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329627333 512078033 /nfs/dbraw/zinc/07/80/33/512078033.db2.gz GXNPPUSUSYQMJM-OQIJWPOYSA-N 0 3 370.497 2.862 10 30 FFEEHN CN1CCC[C@H](CNC(=O)N2CC[C@H](CCO)C2)[C@@H]1c1cccs1 ZINC000329805821 512099180 /nfs/dbraw/zinc/09/91/80/512099180.db2.gz KXKHPDNYXVZFGN-BFYDXBDKSA-N 0 3 351.516 2.749 10 30 FFEEHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000123035034 508625496 /nfs/dbraw/zinc/62/54/96/508625496.db2.gz JJUXWQDDTQAGBI-AWEZNQCLSA-N 0 3 372.387 2.673 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N2CCC(c3cnn(CC)c3)CC2)CC1 ZINC000159249608 508813766 /nfs/dbraw/zinc/81/37/66/508813766.db2.gz LUKLEAMPBUKZFV-UHFFFAOYSA-N 0 3 359.518 2.833 10 30 FFEEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000154586590 508814337 /nfs/dbraw/zinc/81/43/37/508814337.db2.gz GKXLOPSKJURWGI-FXAWDEMLSA-N 0 3 365.481 2.991 10 30 FFEEHN C=C(C)COc1cc(CN2CCN(C[C@@H](C)O)[C@@H](CC)C2)ccc1OC ZINC000120768836 509061191 /nfs/dbraw/zinc/06/11/91/509061191.db2.gz MUCJMRKJYFSLOG-MJGOQNOKSA-N 0 3 362.514 2.927 10 30 FFEEHN CN(C)c1noc(C2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)n1 ZINC000191908792 509240980 /nfs/dbraw/zinc/24/09/80/509240980.db2.gz QGTKOFWXNRQLMI-UHFFFAOYSA-N 0 3 368.485 2.865 10 30 FFEEHN CCN1CCC[C@H]1CN(C)C(=O)NCCSCc1ccccc1C#N ZINC000177337373 510003076 /nfs/dbraw/zinc/00/30/76/510003076.db2.gz YRSLDYRDGFIPLQ-SFHVURJKSA-N 0 3 360.527 2.917 10 30 FFEEHN COc1ccc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000245724302 510109975 /nfs/dbraw/zinc/10/99/75/510109975.db2.gz IOAJGBDBLCHOQV-PKOBYXMFSA-N 0 3 373.497 2.530 10 30 FFEEHN C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@H]2CNCCN2C)no1 ZINC000263294183 510648653 /nfs/dbraw/zinc/64/86/53/510648653.db2.gz WCBYCOKCCPLOGY-CYBMUJFWSA-N 0 3 368.359 2.896 10 30 FFEEHN COc1cc(C#N)ccc1CN1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000195279141 510755363 /nfs/dbraw/zinc/75/53/63/510755363.db2.gz ZAODRISKPWGYJC-IBGZPJMESA-N 0 3 350.466 2.916 10 30 FFEEHN COc1ccnc(NC2CCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)n1 ZINC000191691802 510788246 /nfs/dbraw/zinc/78/82/46/510788246.db2.gz MLIGELZDABNQDY-OAHLLOKOSA-N 0 3 367.453 2.853 10 30 FFEEHN CCN1CCC[C@@H](CN(C)C(=O)c2cccc(C#N)c2)[C@@H]1c1cnn(C)c1 ZINC000328630689 529047460 /nfs/dbraw/zinc/04/74/60/529047460.db2.gz QEJZMJGVAJNVBU-AZUAARDMSA-N 0 3 365.481 2.837 10 30 FFEEHN CCc1nnc(NC[C@@H]2CCN(C)[C@H]2c2cccnc2)c(C#N)c1CC ZINC000328630089 223122023 /nfs/dbraw/zinc/12/20/23/223122023.db2.gz PNMFIHVXUMUPGY-KXBFYZLASA-N 0 3 350.470 2.973 10 30 FFEEHN N#Cc1cc(NC[C@H](O)CN2CCc3ccccc3C2)c2ccccc2n1 ZINC000301497601 258053100 /nfs/dbraw/zinc/05/31/00/258053100.db2.gz BUWISRZWGJYAOI-IBGZPJMESA-N 0 3 358.445 2.938 10 30 FFEEHN CN(C)C[C@H](Cc1ccccc1)NC(=O)CSc1ccc(C#N)cc1 ZINC000103073051 508295394 /nfs/dbraw/zinc/29/53/94/508295394.db2.gz MRIGQFJEJLVUNZ-SFHVURJKSA-N 0 3 353.491 2.939 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)CC1 ZINC000106040476 508390049 /nfs/dbraw/zinc/39/00/49/508390049.db2.gz RQXGKONMAPWMBF-HXUWFJFHSA-N 0 3 371.525 2.906 10 30 FFEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CCC(c2cc[nH]n2)CC1)C(C)C ZINC000156581836 508444478 /nfs/dbraw/zinc/44/44/78/508444478.db2.gz RTBGBRDLXKELAA-IBGZPJMESA-N 0 3 359.518 2.997 10 30 FFEEHN N#Cc1ccccc1CSCCNC(=O)N1CCCN(C2CC2)CC1 ZINC000140174899 508800915 /nfs/dbraw/zinc/80/09/15/508800915.db2.gz HBYNCYUCWCVKOW-UHFFFAOYSA-N 0 3 358.511 2.671 10 30 FFEEHN C=C(C)COc1cc(CN2CCN(C[C@@H](C)O)[C@H](CC)C2)ccc1OC ZINC000120768671 509060795 /nfs/dbraw/zinc/06/07/95/509060795.db2.gz MUCJMRKJYFSLOG-IEBWSBKVSA-N 0 3 362.514 2.927 10 30 FFEEHN C=CCOc1cccc(CN[C@H]2CCCN(c3cc(C)nn3C)C2=O)c1 ZINC000173849878 509815258 /nfs/dbraw/zinc/81/52/58/509815258.db2.gz DTGDGZMHTFVYOQ-SFHVURJKSA-N 0 3 354.454 2.579 10 30 FFEEHN C=C(C)COc1cc(CN2CCN(C[C@H](C)O)[C@@H](CC)C2)ccc1OC ZINC000245745852 510123776 /nfs/dbraw/zinc/12/37/76/510123776.db2.gz MUCJMRKJYFSLOG-HKUYNNGSSA-N 0 3 362.514 2.927 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N[C@@H](C)c2ccc3c(c2)OCCO3)CC1 ZINC000171551883 510221631 /nfs/dbraw/zinc/22/16/31/510221631.db2.gz UKFGFBULMRPZRS-HNNXBMFYSA-N 0 3 359.470 2.859 10 30 FFEEHN N#Cc1ccsc1N1CC[C@H](N2CC[C@H]3[C@@H](CCCN3C3CC3)C2)C1=O ZINC000247065394 510824036 /nfs/dbraw/zinc/82/40/36/510824036.db2.gz ZZOUEGQNZIQMIH-SZMVWBNQSA-N 0 3 370.522 2.674 10 30 FFEEHN C[C@H](CCc1ccc2c(c1)OCO2)NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000329300770 512023219 /nfs/dbraw/zinc/02/32/19/512023219.db2.gz VUDVAUHPATYIFB-PVAVHDDUSA-N 0 3 359.470 2.676 10 30 FFEEHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000329643529 512081904 /nfs/dbraw/zinc/08/19/04/512081904.db2.gz IXHQBVBIDDZVNQ-YLJYHZDGSA-N 0 3 367.497 2.887 10 30 FFEEHN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000080451381 728328118 /nfs/dbraw/zinc/32/81/18/728328118.db2.gz AHZITPNBEGIUGS-TZMCWYRMSA-N 0 3 369.512 2.647 10 30 FFEEHN COC[C@H](O)CN1CCC(Nc2cc(C#N)c3cc(Cl)ccc3n2)CC1 ZINC000301858971 258071128 /nfs/dbraw/zinc/07/11/28/258071128.db2.gz CRUJPCPPUAUVKP-MRXNPFEDSA-N 0 3 374.872 2.643 10 30 FFEEHN C=CCN1CCC(NC(=O)N2CC[C@@H](c3cc(OC)cc(OC)c3)C2)CC1 ZINC000083655135 508250927 /nfs/dbraw/zinc/25/09/27/508250927.db2.gz YUDDXIXNHBROIF-MRXNPFEDSA-N 0 3 373.497 2.853 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@H]2CCCN2C(=O)Nc2ccccc2)CC1 ZINC000106037158 508389212 /nfs/dbraw/zinc/38/92/12/508389212.db2.gz WLHVPFJYKUFSNM-LJQANCHMSA-N 0 3 370.497 2.840 10 30 FFEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@@H](c2cnn(C)c2)C1)C(C)C ZINC000116531283 508525506 /nfs/dbraw/zinc/52/55/06/508525506.db2.gz DHHYEEPOZKKZAH-MJGOQNOKSA-N 0 3 359.518 2.618 10 30 FFEEHN Cc1csc([C@@H]2CCCN(C[C@@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000249857025 509774501 /nfs/dbraw/zinc/77/45/01/509774501.db2.gz DOXMXBXGGOPEOI-IAGOWNOFSA-N 0 3 357.479 2.943 10 30 FFEEHN Cc1nccn1C[C@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245528584 509985253 /nfs/dbraw/zinc/98/52/53/509985253.db2.gz QTGZGYMWFYIZTD-UXHICEINSA-N 0 3 363.465 2.723 10 30 FFEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)C#Cc2ccccc2)C1 ZINC000190548585 510197672 /nfs/dbraw/zinc/19/76/72/510197672.db2.gz COYUSKJASDHBCJ-GOSISDBHSA-N 0 3 353.491 2.784 10 30 FFEEHN Cc1nccn1C[C@@H]1CCCN1[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000245921286 510207224 /nfs/dbraw/zinc/20/72/24/510207224.db2.gz GKXLOPSKJURWGI-XLIONFOSSA-N 0 3 365.481 2.991 10 30 FFEEHN N#CCSc1ccccc1NC(=O)CN1CCC(c2ccn[nH]2)CC1 ZINC000171639924 510267776 /nfs/dbraw/zinc/26/77/76/510267776.db2.gz QPHYPWBZQZACPK-UHFFFAOYSA-N 0 3 355.467 2.843 10 30 FFEEHN N#Cc1ccc([C@@H](O)CN2CCC[C@@H](c3nnc4n3CCCCC4)C2)cc1 ZINC000246119106 510304321 /nfs/dbraw/zinc/30/43/21/510304321.db2.gz YIYSPCMPNSZVCV-MOPGFXCFSA-N 0 3 365.481 2.789 10 30 FFEEHN CC[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181554845 510469498 /nfs/dbraw/zinc/46/94/98/510469498.db2.gz FBIALZQQLWIMCP-PKOBYXMFSA-N 0 3 355.394 2.947 10 30 FFEEHN C=C[C@](C)(CCOC)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000188232447 510660579 /nfs/dbraw/zinc/66/05/79/510660579.db2.gz MAXXMYFKEIZNSS-IFMALSPDSA-N 0 3 374.525 2.777 10 30 FFEEHN CN(CC1CCN(C[C@@H](O)c2ccccc2)CC1)C(=O)NCCCCC#N ZINC000175503112 510666388 /nfs/dbraw/zinc/66/63/88/510666388.db2.gz PIYLEXQPAIONCQ-HXUWFJFHSA-N 0 3 372.513 2.767 10 30 FFEEHN CC(C)[C@@H](C(=O)NC[C@@H]1C[C@H](F)CN1c1cccnn1)N1CCCCC1 ZINC000329975566 510891099 /nfs/dbraw/zinc/89/10/99/510891099.db2.gz DTILKCCEUVJREP-BQFCYCMXSA-N 0 3 363.481 2.860 10 30 FFEEHN CCOc1cc2c(cc1CNC(=O)N[C@@H]1CCCN(CC)C1)O[C@H](C)C2 ZINC000328799802 511934280 /nfs/dbraw/zinc/93/42/80/511934280.db2.gz XXCDLPUORKATGO-RHSMWYFYSA-N 0 3 361.486 2.897 10 30 FFEEHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000328813779 511935347 /nfs/dbraw/zinc/93/53/47/511935347.db2.gz BWVZDHYZXOMBAJ-IAGOWNOFSA-N 0 3 362.518 2.743 10 30 FFEEHN COc1ccc(NC(=O)NC(=O)CN2C[C@H]3CCCCN3C[C@@H]2C)cc1 ZINC000329660659 512084092 /nfs/dbraw/zinc/08/40/92/512084092.db2.gz OQGDCUYTYMQOOP-GOEBONIOSA-N 0 3 360.458 2.742 10 30 FFEEHN CN(C(=O)NC[C@H]1CC[C@@H](c2nc(C3CC3)no2)O1)[C@@H]1CCSC1 ZINC000329713060 512089221 /nfs/dbraw/zinc/08/92/21/512089221.db2.gz QYXFMQKNOVWIJN-UPJWGTAASA-N 0 3 352.460 2.518 10 30 FFEEHN CCN1CCC[C@@H](CN(C)C(=O)Nc2nc(C)c(C)o2)[C@@H]1c1cnn(C)c1 ZINC000328635174 521614657 /nfs/dbraw/zinc/61/46/57/521614657.db2.gz UPZMXIHYWBBRIS-DOTOQJQBSA-N 0 3 374.489 2.975 10 30 FFEEHN N#Cc1nc(-c2ccc(COc3ccccc3)o2)oc1N1CCNCC1 ZINC000040165731 506477951 /nfs/dbraw/zinc/47/79/51/506477951.db2.gz POFSJFMFVOUUJS-UHFFFAOYSA-N 0 3 350.378 2.795 10 30 FFEEHN C=CCc1cc(CN2CCC(N3CCO[C@H](C)C3)CC2)cc(OC)c1O ZINC000092079207 508041569 /nfs/dbraw/zinc/04/15/69/508041569.db2.gz PZRUQSFAZAQIAC-MRXNPFEDSA-N 0 3 360.498 2.814 10 30 FFEEHN C#CCCOc1ccc(CN2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000093272620 508131948 /nfs/dbraw/zinc/13/19/48/508131948.db2.gz ZIKHNKWUCSQVOF-UHFFFAOYSA-N 0 3 350.466 2.980 10 30 FFEEHN C#CCCCCNC(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000151408275 509010395 /nfs/dbraw/zinc/01/03/95/509010395.db2.gz PXKWKFNTBIFTEU-FQEVSTJZSA-N 0 3 357.498 2.535 10 30 FFEEHN C=CCN1CCC(NC(=O)N[C@@H]2C[C@@H](OCC)[C@@H]2Oc2ccccc2)CC1 ZINC000251648319 509814442 /nfs/dbraw/zinc/81/44/42/509814442.db2.gz IUOGYBNYQZAHGI-VAMGGRTRSA-N 0 3 373.497 2.561 10 30 FFEEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)C1(C#N)CCCC1 ZINC000177454618 510068977 /nfs/dbraw/zinc/06/89/77/510068977.db2.gz PDFPTUQIJXTUIP-FQEVSTJZSA-N 0 3 369.509 2.974 10 30 FFEEHN CCN1CCC[C@H]1CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000177710834 510211870 /nfs/dbraw/zinc/21/18/70/510211870.db2.gz BPBILPZIVRYZAI-ROUUACIJSA-N 0 3 372.513 2.746 10 30 FFEEHN C=CCNc1ncc(C(=O)N2CC[C@H](CN(C)Cc3cccnc3)C2)s1 ZINC000190712586 510300219 /nfs/dbraw/zinc/30/02/19/510300219.db2.gz LDTKJYWZHIXUTQ-MRXNPFEDSA-N 0 3 371.510 2.730 10 30 FFEEHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@H](C)N2CCN3CCC[C@H]3C2)c1 ZINC000246355846 510444129 /nfs/dbraw/zinc/44/41/29/510444129.db2.gz MUGTTYXUSDWZRN-OALUTQOASA-N 0 3 354.498 2.719 10 30 FFEEHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2C[C@@H](O)c2ccccc2)cc1 ZINC000247642068 510867603 /nfs/dbraw/zinc/86/76/03/510867603.db2.gz TVWRGIPKLMJLMK-TUNNFDKTSA-N 0 3 366.461 2.886 10 30 FFEEHN C[C@@H](NC(=O)N1CCC(CCN2C[C@@H](C)O[C@H](C)C2)CC1)c1cn[nH]c1 ZINC000328853753 511941192 /nfs/dbraw/zinc/94/11/92/511941192.db2.gz JFGFSJXSYVRCPE-BZUAXINKSA-N 0 3 363.506 2.596 10 30 FFEEHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1cccc(-n2ccnc2)c1 ZINC000329268953 512017244 /nfs/dbraw/zinc/01/72/44/512017244.db2.gz GUUFLUZOYLDIGN-BXWFABGCSA-N 0 3 353.470 2.873 10 30 FFEEHN O=C(C[C@@H]1CCCCC(=O)N1)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000329818132 512101397 /nfs/dbraw/zinc/10/13/97/512101397.db2.gz FRCILUSKDBUFIC-ZWKOTPCHSA-N 0 3 359.470 2.651 10 30 FFEEHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374177134 512694176 /nfs/dbraw/zinc/69/41/76/512694176.db2.gz VDRBVBAQRYYZRQ-BCYZHJNNSA-N 0 3 361.530 2.979 10 30 FFEEHN Cc1nc(C)n(C[C@@H]2CCCN(CCC(=O)Nc3sccc3C#N)C2)n1 ZINC000106181410 250250962 /nfs/dbraw/zinc/25/09/62/250250962.db2.gz JNPASBWTNZUWLR-OAHLLOKOSA-N 0 3 372.498 2.569 10 30 FFEEHN CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000286749499 257053260 /nfs/dbraw/zinc/05/32/60/257053260.db2.gz LPDABNKZMPAODI-OXJNMPFZSA-N 0 3 355.461 2.946 10 30 FFEEHN CC(=O)c1ccc(C#N)c(N2CCN(c3ccc(CN(C)C)cn3)CC2)c1 ZINC000302083175 258087354 /nfs/dbraw/zinc/08/73/54/258087354.db2.gz DASWDANZGCHNFF-UHFFFAOYSA-N 0 3 363.465 2.544 10 30 FFEEHN C[C@H]1CCCCN1CCNC(=O)C(=O)Nc1ccccc1SCCC#N ZINC000108606612 507908161 /nfs/dbraw/zinc/90/81/61/507908161.db2.gz GKVVTMJTLLPKOH-HNNXBMFYSA-N 0 3 374.510 2.621 10 30 FFEEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2N1CCC(=O)Nc1ccccc1C#N ZINC000170643719 509692802 /nfs/dbraw/zinc/69/28/02/509692802.db2.gz JLNRWXXRKSSQQU-JLSDUUJJSA-N 0 3 355.438 2.693 10 30 FFEEHN C=CCN(CC=C)[C@H](CNC(=O)N1CCC[C@@H]1c1cnn(C)c1)C(C)C ZINC000170894497 509837278 /nfs/dbraw/zinc/83/72/78/509837278.db2.gz KCKAGZWXSHMPBT-RTBURBONSA-N 0 3 359.518 2.965 10 30 FFEEHN C[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1 ZINC000180655343 510037594 /nfs/dbraw/zinc/03/75/94/510037594.db2.gz IKHJWPZMVANGFI-OXJNMPFZSA-N 0 3 362.433 2.834 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000190594700 510229408 /nfs/dbraw/zinc/22/94/08/510229408.db2.gz FSOPGUOJELSFIJ-OAHLLOKOSA-N 0 3 370.403 2.826 10 30 FFEEHN C[C@H]1CN2CCC[C@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000247469858 510861807 /nfs/dbraw/zinc/86/18/07/510861807.db2.gz ROQXZASUVAHBSE-IRXDYDNUSA-N 0 3 350.466 2.906 10 30 FFEEHN COc1ccccc1OC[C@H](C)CNC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000329313939 512025069 /nfs/dbraw/zinc/02/50/69/512025069.db2.gz AVVNEQTZNHEDFZ-IKGGRYGDSA-N 0 3 361.486 2.650 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@@H](NC(=O)c2ccccc2)[C@@H](C)CC)CC1 ZINC000106039330 508389931 /nfs/dbraw/zinc/38/99/31/508389931.db2.gz FUCXWXYJERCXIO-PXNSSMCTSA-N 0 3 371.525 2.988 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@H](n3ccnc3CC)C2)CC1 ZINC000152938815 508532555 /nfs/dbraw/zinc/53/25/55/508532555.db2.gz DHWKZTFBIYPUMW-SFHVURJKSA-N 0 3 359.518 2.833 10 30 FFEEHN Cc1ccc(OC2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)nc1 ZINC000182851374 509458765 /nfs/dbraw/zinc/45/87/65/509458765.db2.gz WSRCKAUGKFJMIE-SFHVURJKSA-N 0 3 367.449 2.545 10 30 FFEEHN C#CCOc1ccc(CN2CCC(C(=O)Nc3cc(C)on3)CC2)cc1 ZINC000179856790 509649627 /nfs/dbraw/zinc/64/96/27/509649627.db2.gz LPTLEVZZKNGJCT-UHFFFAOYSA-N 0 3 353.422 2.846 10 30 FFEEHN CCOCCN1CCN(Cc2cn(C)nc2-c2ccc(C#N)cc2)C[C@@H]1C ZINC000180100429 509751341 /nfs/dbraw/zinc/75/13/41/509751341.db2.gz CBPRIQVQQDEKLW-KRWDZBQOSA-N 0 3 367.497 2.501 10 30 FFEEHN CN1CC[C@@H](NC(=O)NCc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000245647789 510060121 /nfs/dbraw/zinc/06/01/21/510060121.db2.gz LZGIQBPTIZBTKR-WOJBJXKFSA-N 0 3 364.449 2.834 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000190482093 510155769 /nfs/dbraw/zinc/15/57/69/510155769.db2.gz PFPRBHMQHJUBQR-IBGZPJMESA-N 0 3 360.465 2.555 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000190586806 510223998 /nfs/dbraw/zinc/22/39/98/510223998.db2.gz ORQHPUJMOHRJAK-OAQYLSRUSA-N 0 3 362.477 2.866 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N2CCO[C@H](c3nc(C)cs3)C2)CC1 ZINC000194233473 510272977 /nfs/dbraw/zinc/27/29/77/510272977.db2.gz XZGPOLNHJAURMR-INIZCTEOSA-N 0 3 364.515 2.575 10 30 FFEEHN C=CCSCCNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190702667 510294356 /nfs/dbraw/zinc/29/43/56/510294356.db2.gz YKWOXVQYHIOPSB-HNNXBMFYSA-N 0 3 368.572 2.834 10 30 FFEEHN CN(C)C[C@@H]1CN(C(=O)c2ccccc2Oc2ccccc2C#N)CCO1 ZINC000181938072 510668807 /nfs/dbraw/zinc/66/88/07/510668807.db2.gz UVLIYOKCQPRKCD-QGZVFWFLSA-N 0 3 365.433 2.753 10 30 FFEEHN Cc1nc2n(n1)CCC[C@@H]2NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182006944 510705392 /nfs/dbraw/zinc/70/53/92/510705392.db2.gz ZJFYJCJXPHXLHL-IBGZPJMESA-N 0 3 350.470 2.547 10 30 FFEEHN C=C(C)CN(CC)C(=O)CN1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000195254213 510739062 /nfs/dbraw/zinc/73/90/62/510739062.db2.gz FJCYFYKWCUQILF-QGZVFWFLSA-N 0 3 364.559 2.630 10 30 FFEEHN CC(C)N1C[C@@H](C)[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000247375472 510858971 /nfs/dbraw/zinc/85/89/71/510858971.db2.gz PLAMMOSRMJTSGB-IEBWSBKVSA-N 0 3 369.513 2.509 10 30 FFEEHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)N[C@@H]1CCO[C@@H]1c1ccccc1 ZINC000330200256 510936302 /nfs/dbraw/zinc/93/63/02/510936302.db2.gz ACIATVXCMVVLSZ-NSISKUIASA-N 0 3 373.497 2.616 10 30 FFEEHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329325302 512027941 /nfs/dbraw/zinc/02/79/41/512027941.db2.gz WBHJZCMGWWQEPA-RCCFBDPRSA-N 0 3 356.470 2.616 10 30 FFEEHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)NC(=O)NCc1cccs1 ZINC000329629393 729798265 /nfs/dbraw/zinc/79/82/65/729798265.db2.gz HMYUDKSAXQLJEB-ZIAGYGMSSA-N 0 3 350.488 2.677 10 30 FFEEHN Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)c1 ZINC000330129604 970440999 /nfs/dbraw/zinc/44/09/99/970440999.db2.gz KBIJXUVAZZYMIN-PKOBYXMFSA-N 0 3 372.513 2.517 10 30 FFEEHN Cc1c(C(=O)NCc2ccccc2Cl)oc2c1C(=NNC(=N)N)CCC2 ZINC000040824732 205081325 /nfs/dbraw/zinc/08/13/25/205081325.db2.gz ITRRVXAKMYWMOL-YDZHTSKRSA-N 0 3 373.844 2.695 10 30 FFEEHN Cc1cccc(N2CCN(CC[C@@H](C)Nc3nccnc3C#N)CC2)c1 ZINC000301183263 258032177 /nfs/dbraw/zinc/03/21/77/258032177.db2.gz NXWRGGLDSFTSIF-QGZVFWFLSA-N 0 3 350.470 2.669 10 30 FFEEHN CN(CCC#N)c1ccc(CN2CCC(c3ccnn3CCO)CC2)cc1 ZINC000092811311 508102185 /nfs/dbraw/zinc/10/21/85/508102185.db2.gz FWUUYOUGKHQXNE-UHFFFAOYSA-N 0 3 367.497 2.605 10 30 FFEEHN N#CCCN(C(=O)CN[C@H]1CCCC[C@H]1n1cccn1)c1ccccc1 ZINC000128418698 508589399 /nfs/dbraw/zinc/58/93/99/508589399.db2.gz UMCBCCPGVGJKTJ-RBUKOAKNSA-N 0 3 351.454 2.903 10 30 FFEEHN CN(CCC#N)c1ccc(CN2CCC(Nc3cccnn3)CC2)cc1 ZINC000120315652 508970875 /nfs/dbraw/zinc/97/08/75/508970875.db2.gz ICVYCIFQVQPFLA-UHFFFAOYSA-N 0 3 350.470 2.903 10 30 FFEEHN N#Cc1c(NC(=O)CCN2CCN3CCCC[C@H]3C2)sc2c1CCCC2 ZINC000246117125 510302892 /nfs/dbraw/zinc/30/28/92/510302892.db2.gz ADQZMOHRMWENEM-HNNXBMFYSA-N 0 3 372.538 2.997 10 30 FFEEHN CN(C)C[C@@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CCO1 ZINC000181225815 510311325 /nfs/dbraw/zinc/31/13/25/510311325.db2.gz OREXACYGIUQIOC-HXUWFJFHSA-N 0 3 363.461 2.881 10 30 FFEEHN CC[C@@H]1CN(Cc2cc(C#N)ccc2Br)CCN1CCOC ZINC000191784987 510828661 /nfs/dbraw/zinc/82/86/61/510828661.db2.gz SAQDAHZXEGWAAO-MRXNPFEDSA-N 0 3 366.303 2.863 10 30 FFEEHN Cc1nc([C@@H]2CCCN2C(=O)N[C@H](C)CCN2CCN(C)CC2)cs1 ZINC000330196579 510934975 /nfs/dbraw/zinc/93/49/75/510934975.db2.gz QMVOEFYKQDGVEU-PBHICJAKSA-N 0 3 365.547 2.528 10 30 FFEEHN C=CCN1CCC(Nc2c3c(C)nn(C)c3ncc2C(=O)OCC)CC1 ZINC000302099292 511706475 /nfs/dbraw/zinc/70/64/75/511706475.db2.gz KMUPLMRXWBPQBI-UHFFFAOYSA-N 0 3 357.458 2.516 10 30 FFEEHN C[C@@H]1CCCN(Cc2csc(NC(=O)N3CCN4CCC[C@@H]4C3)n2)C1 ZINC000329349574 512031684 /nfs/dbraw/zinc/03/16/84/512031684.db2.gz DWACTEWJGKIKIG-GDBMZVCRSA-N 0 3 363.531 2.701 10 30 FFEEHN CCN1CCC[C@@H](NC(=O)c2ccc3c(c2)nc2n(c3=O)CCCCC2)C1 ZINC000328869907 964933234 /nfs/dbraw/zinc/93/32/34/964933234.db2.gz DAELMHLPBLKKKS-MRXNPFEDSA-N 0 3 368.481 2.912 10 30 FFEEHN C[C@H]1CN2CCCC[C@H]2CN1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000329672304 967933052 /nfs/dbraw/zinc/93/30/52/967933052.db2.gz UMFLWBJMXADBCE-LPHOPBHVSA-N 0 3 370.497 2.960 10 30 FFEEHN N#Cc1cc(N2CCN(C[C@@H]3CCOC3)CC2)nc2ccc(Cl)cc12 ZINC000301526972 258054358 /nfs/dbraw/zinc/05/43/58/258054358.db2.gz GJZYUWSVDWFVJN-AWEZNQCLSA-N 0 3 356.857 2.918 10 30 FFEEHN C=C[C@@H](CC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000089505516 507843848 /nfs/dbraw/zinc/84/38/48/507843848.db2.gz ZYOVUVUHNMRYAJ-FPOVZHCZSA-N 0 3 355.526 2.975 10 30 FFEEHN C=CCn1c(C)cc(C(=O)CN2CCN(C[C@H]3CCCCN3C)CC2)c1C ZINC000109751341 507984333 /nfs/dbraw/zinc/98/43/33/507984333.db2.gz VCRPHSJZHZGCNL-HXUWFJFHSA-N 0 3 372.557 2.576 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)NCc2cn3cc(Cl)ccc3n2)CC1 ZINC000106262613 508398763 /nfs/dbraw/zinc/39/87/63/508398763.db2.gz UXSASPIBAGCKCW-UHFFFAOYSA-N 0 3 361.877 2.827 10 30 FFEEHN Cn1cc([C@H]2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1 ZINC000116314267 508497987 /nfs/dbraw/zinc/49/79/87/508497987.db2.gz VMCOUZBKYASPAZ-AWEZNQCLSA-N 0 3 357.845 2.763 10 30 FFEEHN COc1ccc([C@@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000128514908 508604730 /nfs/dbraw/zinc/60/47/30/508604730.db2.gz UXCOWRRIGMIDDY-RHSMWYFYSA-N 0 3 356.422 2.666 10 30 FFEEHN Cn1cc(CN[C@H]2CCCN(c3cccnn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180174791 509795120 /nfs/dbraw/zinc/79/51/20/509795120.db2.gz XUULLKPHTHZAEO-IBGZPJMESA-N 0 3 373.464 2.507 10 30 FFEEHN C=C(C)COc1cc(CN2C[C@H](N3CCOCC3)[C@@H](C)C2)ccc1OC ZINC000180236719 509826992 /nfs/dbraw/zinc/82/69/92/509826992.db2.gz OZNOTEKATCVWKZ-HKUYNNGSSA-N 0 3 360.498 2.803 10 30 FFEEHN CN1CCN([C@@H]2CCCCN(C(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000175256365 510555321 /nfs/dbraw/zinc/55/53/21/510555321.db2.gz CRRWFFGKHIQAPG-GOSISDBHSA-N 0 3 372.538 2.544 10 30 FFEEHN COc1cc(C#N)ccc1OCCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188058729 510570337 /nfs/dbraw/zinc/57/03/37/510570337.db2.gz UEHLWLMHUXVRGC-IRXDYDNUSA-N 0 3 358.463 2.715 10 30 FFEEHN C[C@H](N[C@@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000330259538 510949140 /nfs/dbraw/zinc/94/91/40/510949140.db2.gz NMHNJXAHQAMDJI-IRWQIABSSA-N 0 3 357.454 2.947 10 30 FFEEHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H]2CCN(C)[C@@H]2c2ccccc2)no1 ZINC000328802036 511934239 /nfs/dbraw/zinc/93/42/39/511934239.db2.gz AOZQXCORMIUKGD-IXDOHACOSA-N 0 3 355.442 2.874 10 30 FFEEHN CN(C[C@H]1CCCN(C)C1)C(=O)N[C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000329336898 512028961 /nfs/dbraw/zinc/02/89/61/512028961.db2.gz PLKVFXIPIIIRTL-HOTGVXAUSA-N 0 3 361.534 2.683 10 30 FFEEHN CCN1CCC[C@@H](CN(C)C(=O)NCc2ccoc2)[C@@H]1c1cnn(C)c1 ZINC000328634875 521614426 /nfs/dbraw/zinc/61/44/26/521614426.db2.gz UJKVRPMETPDIBP-FUHWJXTLSA-N 0 3 359.474 2.832 10 30 FFEEHN COc1cccc([C@@H]2[C@@H](NC(=O)[C@@H]3C[C@H](OC)CN3C)CCN2C2CC2)c1 ZINC000329035222 965961949 /nfs/dbraw/zinc/96/19/49/965961949.db2.gz MPTYITZKCOFUKM-LWYYNNOASA-N 0 3 373.497 2.649 10 30 FFEEHN N#Cc1ccccc1OC1CCC(NC(=O)N[C@@H]2CCN(C3CC3)C2)CC1 ZINC000329290169 967624166 /nfs/dbraw/zinc/62/41/66/967624166.db2.gz IIBCKCSOVJTQHO-TVRKMHQQSA-N 0 3 368.481 2.989 10 30 FFEEHN CCCN1CCC(CNS(=O)(=O)c2ccc(C#N)c(Cl)c2)CC1 ZINC000110252470 508016102 /nfs/dbraw/zinc/01/61/02/508016102.db2.gz YHKJTEJKUAYUQR-UHFFFAOYSA-N 0 3 355.891 2.612 10 30 FFEEHN C[C@@H]1CN2CCC[C@@H]2CN1CC(=O)c1cn(CCC#N)c2ccccc12 ZINC000113267257 508255541 /nfs/dbraw/zinc/25/55/41/508255541.db2.gz ROQXZASUVAHBSE-IAGOWNOFSA-N 0 3 350.466 2.906 10 30 FFEEHN C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@H]2CCCN2CC)c1 ZINC000176891607 509747377 /nfs/dbraw/zinc/74/73/77/509747377.db2.gz HQALXLFTKUJRKZ-QGZVFWFLSA-N 0 3 359.470 2.523 10 30 FFEEHN CCc1nnc(N2CC[C@H](CN(C)Cc3cccnc3)C2)c(C#N)c1CC ZINC000190450043 510137668 /nfs/dbraw/zinc/13/76/68/510137668.db2.gz USIIRRNLOJKQDQ-QGZVFWFLSA-N 0 3 364.497 2.826 10 30 FFEEHN N#Cc1ccc(CN2CCCN(C[C@@H](O)c3ccc(C#N)cc3)CC2)cc1 ZINC000246011689 510248886 /nfs/dbraw/zinc/24/88/86/510248886.db2.gz LFVCFFHWIZFZIF-JOCHJYFZSA-N 0 3 360.461 2.671 10 30 FFEEHN C=CCOc1ccc(C(F)(F)F)cc1-c1nc([C@@H]2CNCCN2C)no1 ZINC000263294184 510648806 /nfs/dbraw/zinc/64/88/06/510648806.db2.gz WCBYCOKCCPLOGY-ZDUSSCGKSA-N 0 3 368.359 2.896 10 30 FFEEHN Cc1cc(C)cc(N(CCC#N)C(=O)[C@@H](C)N2CCN3CCC[C@@H]3C2)c1 ZINC000178630713 510696216 /nfs/dbraw/zinc/69/62/16/510696216.db2.gz MUGTTYXUSDWZRN-RTBURBONSA-N 0 3 354.498 2.719 10 30 FFEEHN C[C@@H](NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000263 510701062 /nfs/dbraw/zinc/70/10/62/510701062.db2.gz QEBJCOWZBJXQOU-UTKZUKDTSA-N 0 3 365.477 2.659 10 30 FFEEHN COc1cc(C#N)ccc1CN1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195279152 510755442 /nfs/dbraw/zinc/75/54/42/510755442.db2.gz ZAODRISKPWGYJC-LJQANCHMSA-N 0 3 350.466 2.916 10 30 FFEEHN CC(C)N1C[C@H](C)[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000247375488 510858950 /nfs/dbraw/zinc/85/89/50/510858950.db2.gz PLAMMOSRMJTSGB-PKOBYXMFSA-N 0 3 369.513 2.509 10 30 FFEEHN CNC(=O)[C@H]1CN(C[C@H]2CCC3(CCCCC3)O2)C[C@@H]1c1cnn(C)c1 ZINC000329146387 511992348 /nfs/dbraw/zinc/99/23/48/511992348.db2.gz XFWUSFFZMPUCAK-KURKYZTESA-N 0 3 360.502 2.904 10 30 FFEEHN CN1CC[C@@H]2[C@@H](CCCN2C(=O)N[C@@H]2CCC(=O)N[C@H]2C(C)(C)C)C1 ZINC000329707142 512089614 /nfs/dbraw/zinc/08/96/14/512089614.db2.gz LJGHVNOBJIQOQB-KLZNWCGWSA-N 0 3 350.507 2.850 10 30 FFEEHN C=CCN1CC[C@@]23c4c5c(O)ccc4C[C@@H]1[C@]2(O)CC=C(OCCC)[C@@H]3O5 ZINC000575417514 518216056 /nfs/dbraw/zinc/21/60/56/518216056.db2.gz XZMKWYIVVWJILD-KDXIVRHGSA-N 0 3 369.461 2.653 10 30 FFEEHN CN(Cc1cc(C#N)ccc1F)C[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000585804696 518609450 /nfs/dbraw/zinc/60/94/50/518609450.db2.gz ZFMMDYCVSPIOAX-OXJNMPFZSA-N 0 3 355.461 2.946 10 30 FFEEHN Cc1nc(C[C@@H]2CCCN(CCC(=O)Nc3ccc(C#N)cc3)C2)no1 ZINC000103150233 250136455 /nfs/dbraw/zinc/13/64/55/250136455.db2.gz UALNZBQARDQSOR-INIZCTEOSA-N 0 3 353.426 2.533 10 30 FFEEHN C=CCNC(=O)NC(=O)[C@@H](C)N[C@H](C)c1cccc(Br)c1 ZINC000075671812 508126959 /nfs/dbraw/zinc/12/69/59/508126959.db2.gz LULCMYNLICZPLP-GHMZBOCLSA-N 0 3 354.248 2.500 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@@H]2c2ccc(F)cc2)CC1 ZINC000130896503 508862523 /nfs/dbraw/zinc/86/25/23/508862523.db2.gz HMDLQQMAKJKQJY-UYAOXDASSA-N 0 3 373.472 2.502 10 30 FFEEHN C=CC[C@H](C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000189911668 509824726 /nfs/dbraw/zinc/82/47/26/509824726.db2.gz NYVMKNGRBCDFBD-SFTDATJTSA-N 0 3 355.526 2.975 10 30 FFEEHN C=CCCO[C@H](C)C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190555376 510203783 /nfs/dbraw/zinc/20/37/83/510203783.db2.gz KRVITEUYVSTOQZ-CVEARBPZSA-N 0 3 351.516 2.713 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2c(F)cc(C#N)cc2F)C1 ZINC000190594679 510228902 /nfs/dbraw/zinc/22/89/02/510228902.db2.gz FSOPGUOJELSFIJ-HNNXBMFYSA-N 0 3 370.403 2.826 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000171804663 510379950 /nfs/dbraw/zinc/37/99/50/510379950.db2.gz NJLQRDJZGCIBFM-PZJWPPBQSA-N 0 3 369.509 2.753 10 30 FFEEHN N#Cc1ccccc1NC(=O)CCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188066932 510574067 /nfs/dbraw/zinc/57/40/67/510574067.db2.gz KOKBEIZCSAUSIY-IRXDYDNUSA-N 0 3 355.463 2.656 10 30 FFEEHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@H](c3nc(N(C)C)no3)C2)cc1 ZINC000194939889 510601194 /nfs/dbraw/zinc/60/11/94/510601194.db2.gz STGXEUQJPWPFIE-HOCLYGCPSA-N 0 3 355.442 2.806 10 30 FFEEHN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2[C@@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000281576370 511896329 /nfs/dbraw/zinc/89/63/29/511896329.db2.gz ZLWVZYYDBCWATK-XTSANDPQSA-N 0 3 367.493 2.925 10 30 FFEEHN COc1ccc(NC(=O)NC(=O)CN2C[C@@H]3CCCCN3C[C@@H]2C)cc1 ZINC000329660660 512083805 /nfs/dbraw/zinc/08/38/05/512083805.db2.gz OQGDCUYTYMQOOP-HOCLYGCPSA-N 0 3 360.458 2.742 10 30 FFEEHN CCN(CC)c1ccc(/C=[NH+]/Cc2ccc(S(N)(=O)=O)cc2)c([O-])c1 ZINC000005227570 727780440 /nfs/dbraw/zinc/78/04/40/727780440.db2.gz USBUDJQAFKKPAN-DEDYPNTBSA-N 0 3 361.467 2.505 10 30 FFEEHN Cc1nccn1C[C@H]1CCCN1[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000154543141 508806256 /nfs/dbraw/zinc/80/62/56/508806256.db2.gz NLKMKHXWCQIRFA-ULRHQZHYSA-N 0 3 371.529 2.975 10 30 FFEEHN CN(CC(=O)OC(C)(C)C)C1CCN(CCOc2ccccc2C#N)CC1 ZINC000191983477 509276598 /nfs/dbraw/zinc/27/65/98/509276598.db2.gz RWXCLASIICNUKZ-UHFFFAOYSA-N 0 3 373.497 2.675 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000245456748 509946060 /nfs/dbraw/zinc/94/60/60/509946060.db2.gz BPBILPZIVRYZAI-QZTJIDSGSA-N 0 3 372.513 2.746 10 30 FFEEHN O=C(C[C@@H]1CCCCNC1=O)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000328854269 511940659 /nfs/dbraw/zinc/94/06/59/511940659.db2.gz JMUCPBKPJDXYNB-YJBOKZPZSA-N 0 3 359.470 2.856 10 30 FFEEHN C[C@H]1CCCN(Cc2csc(NC(=O)N3CC[C@H](N(C)C)C3)n2)C1 ZINC000328905293 511949495 /nfs/dbraw/zinc/94/94/95/511949495.db2.gz AQUWDNSKRUJWNW-ZFWWWQNUSA-N 0 3 351.520 2.556 10 30 FFEEHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@@H]1CCN(C2CCCCC2)C1 ZINC000329439165 512047487 /nfs/dbraw/zinc/04/74/87/512047487.db2.gz JWRFCSDPJIVZAA-DJIMGWMZSA-N 0 3 356.532 2.953 10 30 FFEEHN CCOCCOCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000105758195 728508465 /nfs/dbraw/zinc/50/84/65/728508465.db2.gz HKAJVQVUMZWBRQ-CYBMUJFWSA-N 0 3 359.209 2.694 10 30 FFEEHN Cc1nn(CCC#N)c(C)c1CCC(=O)N[C@H](CN(C)C)c1ccccc1 ZINC000029257126 507771230 /nfs/dbraw/zinc/77/12/30/507771230.db2.gz PTUISNFPZQAWLK-HXUWFJFHSA-N 0 3 367.497 2.765 10 30 FFEEHN C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@@H](C)N(C)Cc1ccccc1 ZINC000110347982 508021879 /nfs/dbraw/zinc/02/18/79/508021879.db2.gz NVUVYQRDHIFEGX-IAGOWNOFSA-N 0 3 351.450 2.962 10 30 FFEEHN N#Cc1cccc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000115157173 508372537 /nfs/dbraw/zinc/37/25/37/508372537.db2.gz LQYXKQCWPHGODI-NRFANRHFSA-N 0 3 363.461 2.734 10 30 FFEEHN CN(C)C[C@@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CCO1 ZINC000118798782 508674815 /nfs/dbraw/zinc/67/48/15/508674815.db2.gz SOLRQZNTPPRWBP-OAQYLSRUSA-N 0 3 363.461 2.881 10 30 FFEEHN CC1([C@H]2CCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1 ZINC000248476494 509337770 /nfs/dbraw/zinc/33/77/70/509337770.db2.gz YIHOLXLKKYIFOC-HKUYNNGSSA-N 0 3 369.465 2.529 10 30 FFEEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000245475055 509958373 /nfs/dbraw/zinc/95/83/73/509958373.db2.gz RMRBPWXWZHYJSD-KGLIPLIRSA-N 0 3 360.527 2.852 10 30 FFEEHN N#Cc1ccc(N2CCC[C@H](N3CC[C@]4(O)CCCC[C@H]4C3)C2=O)cc1 ZINC000245520643 509982027 /nfs/dbraw/zinc/98/20/27/509982027.db2.gz JZCDOXAFERUHDT-HFSMHLIXSA-N 0 3 353.466 2.681 10 30 FFEEHN C[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1 ZINC000180655357 510038063 /nfs/dbraw/zinc/03/80/63/510038063.db2.gz IKHJWPZMVANGFI-OXQOHEQNSA-N 0 3 362.433 2.834 10 30 FFEEHN C=CCCC[C@H](C)NC(=O)N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000181105563 510277364 /nfs/dbraw/zinc/27/73/64/510277364.db2.gz SKYVBNIYNOHGOF-KRWDZBQOSA-N 0 3 359.518 2.720 10 30 FFEEHN CC[C@@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181554882 510469518 /nfs/dbraw/zinc/46/95/18/510469518.db2.gz FBIALZQQLWIMCP-IEBWSBKVSA-N 0 3 355.394 2.947 10 30 FFEEHN CC[C@H](NC[C@@H](O)COc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181554863 510470190 /nfs/dbraw/zinc/47/01/90/510470190.db2.gz FBIALZQQLWIMCP-MJGOQNOKSA-N 0 3 355.394 2.947 10 30 FFEEHN CN(CCNC(=O)C1CCCC1)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328646136 511906622 /nfs/dbraw/zinc/90/66/22/511906622.db2.gz SKFBBSGWEARDLI-PKOBYXMFSA-N 0 3 361.534 2.882 10 30 FFEEHN O=C(NCCN1CCC2(CCCCC2)CC1)N1CCC[C@H]1Cn1ccnn1 ZINC000329030822 511970470 /nfs/dbraw/zinc/97/04/70/511970470.db2.gz WZKUQWBIZRRVON-SFHVURJKSA-N 0 3 374.533 2.703 10 30 FFEEHN CN1C[C@@H](c2noc(Cc3csc(NC(=O)C(C)(C)C)n3)n2)CC1=O ZINC000329708094 512089236 /nfs/dbraw/zinc/08/92/36/512089236.db2.gz KXXNYXKGLQTRCP-VIFPVBQESA-N 0 3 363.443 2.697 10 30 FFEEHN CCN1CCC[C@@H](CN(C)C(=O)NCCn2cccc2)[C@@H]1c1cnn(C)c1 ZINC000328618977 521614788 /nfs/dbraw/zinc/61/47/88/521614788.db2.gz FJNSRNKGHMBYSU-PKOBYXMFSA-N 0 3 372.517 2.541 10 30 FFEEHN CCn1nccc1[C@@H]1OCC[C@H]1CN[C@H](Cc1ccccc1)C(=O)NC ZINC000328630587 523746015 /nfs/dbraw/zinc/74/60/15/523746015.db2.gz JORLAHBRMWBRNE-YQVWRLOYSA-N 0 3 356.470 2.768 10 30 FFEEHN C=CCN1CCC(NC(=O)[C@H](NC(=O)OC(C)(C)C)[C@H](C)CC)CC1 ZINC000171714940 729011314 /nfs/dbraw/zinc/01/13/14/729011314.db2.gz KOUXVSHULFUBLQ-GDBMZVCRSA-N 0 3 353.507 2.692 10 30 FFEEHN N#Cc1nc(-c2ccc(COc3ccc(F)cc3)o2)oc1N1CCNCC1 ZINC000040165764 506477974 /nfs/dbraw/zinc/47/79/74/506477974.db2.gz GPVBBXOHLQLIHN-UHFFFAOYSA-N 0 3 368.368 2.934 10 30 FFEEHN CC(C)[C@H](C)NC(=O)C1CCN(CCC(=O)Nc2ccccc2C#N)CC1 ZINC000103472562 508313848 /nfs/dbraw/zinc/31/38/48/508313848.db2.gz UBZLBZBYLVZXNE-INIZCTEOSA-N 0 3 370.497 2.760 10 30 FFEEHN C=CCOc1ccc(C(F)(F)F)cc1C(=O)N1CCO[C@H](CN(C)C)C1 ZINC000123034829 508624985 /nfs/dbraw/zinc/62/49/85/508624985.db2.gz JJUXWQDDTQAGBI-CQSZACIVSA-N 0 3 372.387 2.673 10 30 FFEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000190562336 510207873 /nfs/dbraw/zinc/20/78/73/510207873.db2.gz QGZBKQSLBHZJHW-SFHVURJKSA-N 0 3 368.506 2.846 10 30 FFEEHN CN(C)C[C@H]1CN(C(=O)Nc2ccccc2C#Cc2ccccc2)CCO1 ZINC000181225827 510311602 /nfs/dbraw/zinc/31/16/02/510311602.db2.gz OREXACYGIUQIOC-FQEVSTJZSA-N 0 3 363.461 2.881 10 30 FFEEHN N#Cc1ccc([C@H](O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000177992057 510363313 /nfs/dbraw/zinc/36/33/13/510363313.db2.gz KQYRXNXYVVOSCT-HXUWFJFHSA-N 0 3 355.482 2.706 10 30 FFEEHN C=C[C@](C)(CCOC)C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188232402 510660810 /nfs/dbraw/zinc/66/08/10/510660810.db2.gz MAXXMYFKEIZNSS-RBBKRZOGSA-N 0 3 374.525 2.777 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(CCOc2ccccc2C#N)C1 ZINC000195280915 510757832 /nfs/dbraw/zinc/75/78/32/510757832.db2.gz OVRVTHVLTNXEQN-LJQANCHMSA-N 0 3 350.466 2.786 10 30 FFEEHN Cc1ccc(N(CCC#N)C(=O)[C@H](C)N2CCCN(C3CC3)CC2)cc1 ZINC000172543709 510783185 /nfs/dbraw/zinc/78/31/85/510783185.db2.gz IBAPOAVPPKAVNX-SFHVURJKSA-N 0 3 354.498 2.800 10 30 FFEEHN COc1ccnc(NC2CCN(Cc3ccc(O[C@@H](C)C#N)cc3)CC2)n1 ZINC000191691787 510788154 /nfs/dbraw/zinc/78/81/54/510788154.db2.gz MLIGELZDABNQDY-HNNXBMFYSA-N 0 3 367.453 2.853 10 30 FFEEHN COc1ccc(NC(=O)NC(=O)CN2C[C@@H]3CCCCN3C[C@H]2C)cc1 ZINC000329660661 512083699 /nfs/dbraw/zinc/08/36/99/512083699.db2.gz OQGDCUYTYMQOOP-ZBFHGGJFSA-N 0 3 360.458 2.742 10 30 FFEEHN CCN1CCC[C@@H](CN(C)CC(=O)Nc2cc(C)no2)[C@@H]1c1cnn(C)c1 ZINC000328627613 521613853 /nfs/dbraw/zinc/61/38/53/521613853.db2.gz GILZXZGDDFMJQH-HNAYVOBHSA-N 0 3 374.489 2.710 10 30 FFEEHN CCN1CCC[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000105174125 250202876 /nfs/dbraw/zinc/20/28/76/250202876.db2.gz MOLIGHAKDSQNSE-QGZVFWFLSA-N 0 3 356.470 2.595 10 30 FFEEHN CCc1nccn1[C@@H]1CCCN(CCC(=O)Nc2ccc(C#N)cc2)C1 ZINC000106217619 250260346 /nfs/dbraw/zinc/26/03/46/250260346.db2.gz WYDTWNLYTLTJAF-GOSISDBHSA-N 0 3 351.454 2.983 10 30 FFEEHN CC(C)CC(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@@H]1c1ccc(O)cc1 ZINC000040358478 208249714 /nfs/dbraw/zinc/24/97/14/208249714.db2.gz PDBHWOLTAQOESO-GOSISDBHSA-N 0 3 360.454 2.655 10 30 FFEEHN C=CCc1cc(CN2CCC(N3CCO[C@@H](C)C3)CC2)cc(OC)c1O ZINC000092079208 508041178 /nfs/dbraw/zinc/04/11/78/508041178.db2.gz PZRUQSFAZAQIAC-INIZCTEOSA-N 0 3 360.498 2.814 10 30 FFEEHN C=CCOc1ccc(CN2CCC(N3CCO[C@@H](C)C3)CC2)cc1OC ZINC000092079473 508041411 /nfs/dbraw/zinc/04/14/11/508041411.db2.gz LDGRFYWJLQXJMO-KRWDZBQOSA-N 0 3 360.498 2.945 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)NCc2cccc(OCCOC)c2)CC1 ZINC000106261271 508398604 /nfs/dbraw/zinc/39/86/04/508398604.db2.gz QHSDXYNCBCGJLH-UHFFFAOYSA-N 0 3 361.486 2.552 10 30 FFEEHN CC[C@@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000159916843 508910843 /nfs/dbraw/zinc/91/08/43/508910843.db2.gz VAPJTPMGVNKCLY-NVXWUHKLSA-N 0 3 370.415 2.714 10 30 FFEEHN N#CCCn1cc(CN2CCC[C@@H](n3cncn3)C2)c(-c2ccccc2)n1 ZINC000179464819 509457553 /nfs/dbraw/zinc/45/75/53/509457553.db2.gz LECLHCKWRYZCKG-LJQANCHMSA-N 0 3 361.453 2.892 10 30 FFEEHN C[C@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186014508 509481009 /nfs/dbraw/zinc/48/10/09/509481009.db2.gz QIVBRUFQQOGLMO-JXFKEZNVSA-N 0 3 373.464 2.856 10 30 FFEEHN C=C(C)COc1cccc(NC(=O)C(=O)N(C)C[C@@H]2CCCN2CC)c1 ZINC000176891624 509747674 /nfs/dbraw/zinc/74/76/74/509747674.db2.gz HQALXLFTKUJRKZ-KRWDZBQOSA-N 0 3 359.470 2.523 10 30 FFEEHN Cn1cc(CN[C@@H]2CCCN(c3cccnn3)C2)c(-c2ccc(C#N)cc2)n1 ZINC000180174772 509795347 /nfs/dbraw/zinc/79/53/47/509795347.db2.gz XUULLKPHTHZAEO-LJQANCHMSA-N 0 3 373.464 2.507 10 30 FFEEHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000170987716 509877966 /nfs/dbraw/zinc/87/79/66/509877966.db2.gz KSUOGORPYXHWLQ-JKSUJKDBSA-N 0 3 358.511 2.799 10 30 FFEEHN C=C(C)COc1cc(CN2C[C@H](C)[C@H](N3CCOCC3)C2)ccc1OC ZINC000245757826 510132855 /nfs/dbraw/zinc/13/28/55/510132855.db2.gz OZNOTEKATCVWKZ-PKOBYXMFSA-N 0 3 360.498 2.803 10 30 FFEEHN CC[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CCN1C[C@H](C)O ZINC000246072164 510277527 /nfs/dbraw/zinc/27/75/27/510277527.db2.gz FBXJHSZLEJZNMH-SWLSCSKDSA-N 0 3 360.408 2.666 10 30 FFEEHN N#Cc1ccccc1OCc1ccc(C(=O)N2CCN3CCC[C@H]3C2)o1 ZINC000195335646 510790159 /nfs/dbraw/zinc/79/01/59/510790159.db2.gz IRGMGANQHANZPT-INIZCTEOSA-N 0 3 351.406 2.650 10 30 FFEEHN CCN1CCC[C@@H](CN(C)c2nnc(C)c(C)c2C#N)[C@@H]1c1cnn(C)c1 ZINC000328630394 511900236 /nfs/dbraw/zinc/90/02/36/511900236.db2.gz PUASNSHIQUPGFY-QFBILLFUSA-N 0 3 367.501 2.608 10 30 FFEEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329093040 511982188 /nfs/dbraw/zinc/98/21/88/511982188.db2.gz KCMKGAMLWCESOX-ZBFHGGJFSA-N 0 3 363.531 2.843 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCN(C3CCCC3)CC1)C2 ZINC000329249773 512014119 /nfs/dbraw/zinc/01/41/19/512014119.db2.gz XGQVAFOPNSRVBQ-INIZCTEOSA-N 0 3 373.545 2.970 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCN(C3CCCC3)CC1)C2 ZINC000329249773 512014121 /nfs/dbraw/zinc/01/41/21/512014121.db2.gz XGQVAFOPNSRVBQ-INIZCTEOSA-N 0 3 373.545 2.970 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCN3CCCC[C@H]3C1)C2 ZINC000329300750 512022604 /nfs/dbraw/zinc/02/26/04/512022604.db2.gz VNARRAWLDVQRRT-HOTGVXAUSA-N 0 3 359.518 2.580 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCN3CCCC[C@H]3C1)C2 ZINC000329300750 512022609 /nfs/dbraw/zinc/02/26/09/512022609.db2.gz VNARRAWLDVQRRT-HOTGVXAUSA-N 0 3 359.518 2.580 10 30 FFEEHN C[C@@H](NC(=O)N1CCC(CN2C[C@@H](C)O[C@H](C)C2)CC1)[C@@H]1CCCCO1 ZINC000329475575 512054621 /nfs/dbraw/zinc/05/46/21/512054621.db2.gz NUACHFRBYZSTHF-MTNOOBJLSA-N 0 3 367.534 2.679 10 30 FFEEHN O=C(Nc1ccnc(Sc2ccccn2)c1)N1CCN2CCC[C@H]2C1 ZINC000329488731 512056477 /nfs/dbraw/zinc/05/64/77/512056477.db2.gz HFCUMZBAZRLMOB-HNNXBMFYSA-N 0 3 355.467 2.953 10 30 FFEEHN C=C(C)CS(=O)(=O)Nc1nc2ccccc2n1CCN1CCCCC1 ZINC000223441135 729546770 /nfs/dbraw/zinc/54/67/70/729546770.db2.gz BPJHXLFQJFANJO-UHFFFAOYSA-N 0 3 362.499 2.840 10 30 FFEEHN C[C@@H]1CN2CCCC[C@@H]2CN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329654756 967914942 /nfs/dbraw/zinc/91/49/42/967914942.db2.gz MAAXGXBQQOPVQB-NVXWUHKLSA-N 0 3 359.470 2.995 10 30 FFEEHN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2[C@H]2CCN(c3ccc(C#N)cc3)C2=O)C1 ZINC000281576368 256644005 /nfs/dbraw/zinc/64/40/05/256644005.db2.gz ZLWVZYYDBCWATK-TWUVWWFLSA-N 0 3 367.493 2.925 10 30 FFEEHN CCN(CC)c1ccc(/C=[NH+]/[C@@H]2CCCn3nc(COC)nc32)c([O-])c1 ZINC000155087215 508919699 /nfs/dbraw/zinc/91/96/99/508919699.db2.gz RBCPNAHUBHSHDL-DDLUMYACSA-N 0 3 357.458 2.930 10 30 FFEEHN Cc1ccc(N2CCCN(CCCOc3cccc(C#N)c3)CC2)nn1 ZINC000156140905 509134048 /nfs/dbraw/zinc/13/40/48/509134048.db2.gz HXPRMJZFETZVAB-UHFFFAOYSA-N 0 3 351.454 2.638 10 30 FFEEHN N#Cc1csc(C(=O)NCC2CCN(C[C@@H](O)c3ccccc3)CC2)c1 ZINC000175925648 509219303 /nfs/dbraw/zinc/21/93/03/509219303.db2.gz YJPLJVKQCJXCBJ-GOSISDBHSA-N 0 3 369.490 2.795 10 30 FFEEHN C=C(C)[C@@H](NC(=O)NC[C@@H](O)CN1CCCCC1)c1ccc(F)c(F)c1 ZINC000185839727 509380067 /nfs/dbraw/zinc/38/00/67/509380067.db2.gz ZYQGUZLOXDHUNH-CRAIPNDOSA-N 0 3 367.440 2.728 10 30 FFEEHN CN1CC[C@H](NC(=O)NCc2ccc(OCC#N)cc2)[C@H]1c1ccccc1 ZINC000245647781 510060537 /nfs/dbraw/zinc/06/05/37/510060537.db2.gz LZGIQBPTIZBTKR-VQTJNVASSA-N 0 3 364.449 2.834 10 30 FFEEHN Cc1ccc(N2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)nn1 ZINC000245747296 510124359 /nfs/dbraw/zinc/12/43/59/510124359.db2.gz NBWLLJITSMZCNS-QGZVFWFLSA-N 0 3 351.454 2.788 10 30 FFEEHN C=CCNc1ncc(C(=O)N2CC[C@@H](CN(C)Cc3cccnc3)C2)s1 ZINC000190712569 510299874 /nfs/dbraw/zinc/29/98/74/510299874.db2.gz LDTKJYWZHIXUTQ-INIZCTEOSA-N 0 3 371.510 2.730 10 30 FFEEHN CC[C@@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1C[C@H](C)O ZINC000246126752 510308793 /nfs/dbraw/zinc/30/87/93/510308793.db2.gz DVZHEGKUCDDXKI-MAUKXSAKSA-N 0 3 354.416 2.834 10 30 FFEEHN CN(C(=O)Nc1ccc(F)cc1C#N)C1CCN(CCn2cccn2)CC1 ZINC000177913226 510323303 /nfs/dbraw/zinc/32/33/03/510323303.db2.gz GLIGSDLSCBKHPM-UHFFFAOYSA-N 0 3 370.432 2.522 10 30 FFEEHN CN(C)c1noc([C@H]2CCCN(Cc3ccc(N(C)CCC#N)cc3)C2)n1 ZINC000194925876 510593191 /nfs/dbraw/zinc/59/31/91/510593191.db2.gz DHLKQGDNQMRKPK-KRWDZBQOSA-N 0 3 368.485 2.865 10 30 FFEEHN CC(C(=O)NC1C2CC3CC(C2)CC1C3)S(=O)(=O)C1CCOCC1 ZINC000330037034 510904392 /nfs/dbraw/zinc/90/43/92/510904392.db2.gz CZEMFMHRQNLJQC-VQGSXZNQSA-N 0 3 355.500 2.750 10 30 FFEEHN C[C@H](N[C@H]1CCO[C@H]1C1CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000330259539 510949430 /nfs/dbraw/zinc/94/94/30/510949430.db2.gz NMHNJXAHQAMDJI-IXDGSTSKSA-N 0 3 357.454 2.947 10 30 FFEEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)COc1cccc(NC(=O)C2CC2)c1 ZINC000329393340 512038791 /nfs/dbraw/zinc/03/87/91/512038791.db2.gz UQTQXANTWNBEGZ-YOEHRIQHSA-N 0 3 357.454 2.759 10 30 FFEEHN CCn1nccc1[C@@H]1OCC[C@H]1CN[C@@H](Cc1ccccc1)C(=O)NC ZINC000328630586 523746929 /nfs/dbraw/zinc/74/69/29/523746929.db2.gz JORLAHBRMWBRNE-JENIJYKNSA-N 0 3 356.470 2.768 10 30 FFEEHN C[C@H](CNC(=O)[C@H](C)Oc1ccccc1C#N)N(C)Cc1ccccc1 ZINC000110347988 508022345 /nfs/dbraw/zinc/02/23/45/508022345.db2.gz NVUVYQRDHIFEGX-SJORKVTESA-N 0 3 351.450 2.962 10 30 FFEEHN Cc1nccn1C[C@@H]1CCCN1[C@@H](C)C(=O)N(C)C1(C#N)CCC(C)CC1 ZINC000154543037 508805760 /nfs/dbraw/zinc/80/57/60/508805760.db2.gz NLKMKHXWCQIRFA-JTEYQQGYSA-N 0 3 371.529 2.975 10 30 FFEEHN C[C@@H](C#N)Oc1ccc(CN2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1 ZINC000249036368 509578083 /nfs/dbraw/zinc/57/80/83/509578083.db2.gz STGXEUQJPWPFIE-GOEBONIOSA-N 0 3 355.442 2.806 10 30 FFEEHN C=CCCO[C@@H](C)C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000251714003 509817685 /nfs/dbraw/zinc/81/76/85/509817685.db2.gz KRVITEUYVSTOQZ-JKSUJKDBSA-N 0 3 351.516 2.713 10 30 FFEEHN C=CCCO[C@H](C)C(=O)N1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000190555401 510203620 /nfs/dbraw/zinc/20/36/20/510203620.db2.gz KRVITEUYVSTOQZ-HZPDHXFCSA-N 0 3 351.516 2.713 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2ccccc2OCC#N)C1 ZINC000190641327 510255475 /nfs/dbraw/zinc/25/54/75/510255475.db2.gz DEGDJKMRUJXSPU-GOSISDBHSA-N 0 3 364.449 2.578 10 30 FFEEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)c1cccc(C#N)n1 ZINC000174739629 510282951 /nfs/dbraw/zinc/28/29/51/510282951.db2.gz SLXBJZZTHBQDMD-FQEVSTJZSA-N 0 3 350.466 2.835 10 30 FFEEHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000195290774 510763425 /nfs/dbraw/zinc/76/34/25/510763425.db2.gz XDYQLUAVGFYNPA-AZUAARDMSA-N 0 3 358.530 2.648 10 30 FFEEHN Cc1csc([C@H]2CCCN(C[C@H](O)COc3ccc(C#N)cc3)C2)n1 ZINC000195327647 510786920 /nfs/dbraw/zinc/78/69/20/510786920.db2.gz DOXMXBXGGOPEOI-IRXDYDNUSA-N 0 3 357.479 2.943 10 30 FFEEHN CC(C(=O)NC1C2CC3CC(C2)CC1C3)S(=O)(=O)C1CCOCC1 ZINC000330037033 510904487 /nfs/dbraw/zinc/90/44/87/510904487.db2.gz CZEMFMHRQNLJQC-PQJKGVAHSA-N 0 3 355.500 2.750 10 30 FFEEHN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000330223373 510941803 /nfs/dbraw/zinc/94/18/03/510941803.db2.gz SIALYGZXBQXRBL-UKBAYJJMSA-N 0 3 354.454 2.900 10 30 FFEEHN C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000333464141 511252593 /nfs/dbraw/zinc/25/25/93/511252593.db2.gz QGPOBJYOHHYLNY-FYQPLNBISA-N 0 3 372.513 2.697 10 30 FFEEHN C[C@H]1CN2CCC[C@@H]2CN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329093034 511981739 /nfs/dbraw/zinc/98/17/39/511981739.db2.gz KCMKGAMLWCESOX-GOEBONIOSA-N 0 3 363.531 2.843 10 30 FFEEHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329378257 512037040 /nfs/dbraw/zinc/03/70/40/512037040.db2.gz OYCZTMCJICEWDG-KZNAEPCWSA-N 0 3 356.470 2.788 10 30 FFEEHN CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000583620195 519344467 /nfs/dbraw/zinc/34/44/67/519344467.db2.gz UICUCWMZDKJHBZ-OXJNMPFZSA-N 0 3 355.461 2.946 10 30 FFEEHN CC(C)N1CCC(N(C)S(=O)(=O)c2cc(Cl)ccc2C#N)CC1 ZINC000105961095 209269409 /nfs/dbraw/zinc/26/94/09/209269409.db2.gz VTCFNZHRZORBKA-UHFFFAOYSA-N 0 3 355.891 2.705 10 30 FFEEHN CCCCCCCCC(=O)NCCNC[C@H](O)COc1ccccc1 ZINC000043664374 506765242 /nfs/dbraw/zinc/76/52/42/506765242.db2.gz SGCLFLFTRSYKHC-SFHVURJKSA-N 0 3 350.503 2.883 10 30 FFEEHN C=C(C)COc1cccc(NC(=O)C(=O)N[C@@H](CC(C)C)CN(C)C)c1 ZINC000067531383 506911990 /nfs/dbraw/zinc/91/19/90/506911990.db2.gz KSUJTKIMYHMXMM-KRWDZBQOSA-N 0 3 361.486 2.673 10 30 FFEEHN COc1cc(C#N)ccc1OCCN1CCC[C@H](Cc2noc(C)n2)C1 ZINC000157746152 508606059 /nfs/dbraw/zinc/60/60/59/508606059.db2.gz OOFUWJOHRPIAIT-MRXNPFEDSA-N 0 3 356.426 2.592 10 30 FFEEHN CN(C)C[C@H]1CN(C(=O)Nc2cccc(C#Cc3ccccc3)c2)CCO1 ZINC000118798784 508674900 /nfs/dbraw/zinc/67/49/00/508674900.db2.gz SOLRQZNTPPRWBP-NRFANRHFSA-N 0 3 363.461 2.881 10 30 FFEEHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000125775236 509028543 /nfs/dbraw/zinc/02/85/43/509028543.db2.gz DDPHBDDZRUGHFJ-MNOVXSKESA-N 0 3 359.348 2.636 10 30 FFEEHN N#Cc1c2c(sc1NC(=O)CCN1CCN3CCCC[C@H]3C1)CCC2 ZINC000172802976 509245243 /nfs/dbraw/zinc/24/52/43/509245243.db2.gz CPNSBYNACMNHKD-AWEZNQCLSA-N 0 3 358.511 2.607 10 30 FFEEHN CN(CC(=O)OC(C)(C)C)C1CCN(CCOc2ccc(C#N)cc2)CC1 ZINC000191986136 509279035 /nfs/dbraw/zinc/27/90/35/509279035.db2.gz VFEOQQBEQNQWNM-UHFFFAOYSA-N 0 3 373.497 2.675 10 30 FFEEHN C=CC[C@@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000186499398 509741475 /nfs/dbraw/zinc/74/14/75/509741475.db2.gz SKXPJWNJXDXAJT-FCHUYYIVSA-N 0 3 364.489 2.882 10 30 FFEEHN C[C@@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc(-n2ccnc2)c1 ZINC000180655324 510038213 /nfs/dbraw/zinc/03/82/13/510038213.db2.gz IKHJWPZMVANGFI-UZLBHIALSA-N 0 3 362.433 2.834 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2ccc(C#N)cc2[N+](=O)[O-])C1 ZINC000190449683 510138290 /nfs/dbraw/zinc/13/82/90/510138290.db2.gz VTHICKUGZSRKPL-KRWDZBQOSA-N 0 3 351.410 2.820 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000190449457 510138467 /nfs/dbraw/zinc/13/84/67/510138467.db2.gz VBLLNFXEBVWPSO-KRWDZBQOSA-N 0 3 351.410 2.820 10 30 FFEEHN CCc1nccn1[C@@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000171524864 510206668 /nfs/dbraw/zinc/20/66/68/510206668.db2.gz ZXNAKBPEUQGEJB-GOSISDBHSA-N 0 3 351.454 2.983 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)c2cccc(F)c2C#N)C1 ZINC000190583837 510222702 /nfs/dbraw/zinc/22/27/02/510222702.db2.gz LPLDRZMLZCEPRB-MRXNPFEDSA-N 0 3 352.413 2.686 10 30 FFEEHN N#CC1(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)CCCC1 ZINC000174859557 510349861 /nfs/dbraw/zinc/34/98/61/510349861.db2.gz HDIWFKYWLDYYRU-IBGZPJMESA-N 0 3 355.482 2.632 10 30 FFEEHN CN1CCN([C@H]2CCCCN(C(=O)c3cccc(SCC#N)c3)C2)CC1 ZINC000175256385 510555287 /nfs/dbraw/zinc/55/52/87/510555287.db2.gz CRRWFFGKHIQAPG-SFHVURJKSA-N 0 3 372.538 2.544 10 30 FFEEHN C[C@@H](C(=O)N(CCC#N)c1ccc(F)cc1)N1CCCN(C2CC2)CC1 ZINC000172541009 510781936 /nfs/dbraw/zinc/78/19/36/510781936.db2.gz QCXAIORSIZJPGF-INIZCTEOSA-N 0 3 358.461 2.631 10 30 FFEEHN O=C(C[C@@H]1CCCCC(=O)N1)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000328666903 511913029 /nfs/dbraw/zinc/91/30/29/511913029.db2.gz KNSGLWDWROFAQX-ZWKOTPCHSA-N 0 3 359.470 2.999 10 30 FFEEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)Nc1nc(CN2CCCCC2)cs1 ZINC000329093037 511982325 /nfs/dbraw/zinc/98/23/25/511982325.db2.gz KCMKGAMLWCESOX-HOCLYGCPSA-N 0 3 363.531 2.843 10 30 FFEEHN O=C(NCc1cc(Cl)c2c(c1)OCCCO2)N1CCN2CCC[C@@H]2C1 ZINC000329154846 511994985 /nfs/dbraw/zinc/99/49/85/511994985.db2.gz UWEXWEWQINFXEJ-CQSZACIVSA-N 0 3 365.861 2.695 10 30 FFEEHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374177148 512694899 /nfs/dbraw/zinc/69/48/99/512694899.db2.gz VDRBVBAQRYYZRQ-SPOLIRPYSA-N 0 3 361.530 2.979 10 30 FFEEHN Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1C ZINC000330115456 970403657 /nfs/dbraw/zinc/40/36/57/970403657.db2.gz FQBGVYWCCFKVBQ-PKOBYXMFSA-N 0 3 372.513 2.517 10 30 FFEEHN N#Cc1ccc(S(=O)(=O)N2CCCC[C@H](N3CCCC3)C2)cc1Cl ZINC000107707618 250310948 /nfs/dbraw/zinc/31/09/48/250310948.db2.gz XXBIMZKDYSSNPE-HNNXBMFYSA-N 0 3 367.902 2.851 10 30 FFEEHN N#Cc1cc(NC(=O)C(=O)N2CCCC[C@@H](N3CCCC3)C2)ccc1Cl ZINC000107873925 507872295 /nfs/dbraw/zinc/87/22/95/507872295.db2.gz HZGFFNINMGNZHG-MRXNPFEDSA-N 0 3 374.872 2.627 10 30 FFEEHN C=CCN(CC=C)[C@@H](CNC(=O)N[C@H]1CCCn2nc(CC)nc21)C(C)C ZINC000087249988 508344226 /nfs/dbraw/zinc/34/42/26/508344226.db2.gz WBELGGYRBNGDHY-IRXDYDNUSA-N 0 3 374.533 2.673 10 30 FFEEHN CCN(CC)c1ccc(/C=[NH+]/[C@H]2CCCn3nc(COC)nc32)c([O-])c1 ZINC000155087330 508919758 /nfs/dbraw/zinc/91/97/58/508919758.db2.gz RBCPNAHUBHSHDL-DORSJAEJSA-N 0 3 357.458 2.930 10 30 FFEEHN C[C@@H](C#N)Oc1ccc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000120196850 508948263 /nfs/dbraw/zinc/94/82/63/508948263.db2.gz BXJUQEPJNGJBEJ-FUHWJXTLSA-N 0 3 351.454 2.868 10 30 FFEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)C1 ZINC000132401284 509026494 /nfs/dbraw/zinc/02/64/94/509026494.db2.gz LVTJIEAKUXJCJM-UZLBHIALSA-N 0 3 370.497 2.840 10 30 FFEEHN CN(c1cccnn1)C1CCN(CCCOc2cccc(C#N)c2)CC1 ZINC000156142593 509133601 /nfs/dbraw/zinc/13/36/01/509133601.db2.gz FJIUMMKVQOPCDD-UHFFFAOYSA-N 0 3 351.454 2.718 10 30 FFEEHN CC(C)N1C[C@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)[C@@H](C)C1 ZINC000176846489 509721666 /nfs/dbraw/zinc/72/16/66/509721666.db2.gz PLAMMOSRMJTSGB-HKUYNNGSSA-N 0 3 369.513 2.509 10 30 FFEEHN CN(C)C[C@H](NC(=O)NCc1ccc(OCC#N)cc1)c1ccccc1 ZINC000170837956 509802769 /nfs/dbraw/zinc/80/27/69/509802769.db2.gz GPYBNWOSCQSXPO-IBGZPJMESA-N 0 3 352.438 2.691 10 30 FFEEHN CC[C@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CCN1C[C@H](C)O ZINC000246072173 510277076 /nfs/dbraw/zinc/27/70/76/510277076.db2.gz FBXJHSZLEJZNMH-WFASDCNBSA-N 0 3 360.408 2.666 10 30 FFEEHN N#Cc1ccsc1N1CC[C@H](N2CC[C@@H]3[C@@H](CCCN3C3CC3)C2)C1=O ZINC000247065332 510824520 /nfs/dbraw/zinc/82/45/20/510824520.db2.gz ZZOUEGQNZIQMIH-JQHSSLGASA-N 0 3 370.522 2.674 10 30 FFEEHN C[C@@H]1C[C@H](CNC(=O)N2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000329133783 511989839 /nfs/dbraw/zinc/98/98/39/511989839.db2.gz ZEXKAVPQTQMDQU-VXIBKDFQSA-N 0 3 367.534 2.537 10 30 FFEEHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@H]2C[C@@H](O)c2cccs2)cc1 ZINC000252652243 251310592 /nfs/dbraw/zinc/31/05/92/251310592.db2.gz IXMWSVBJCSCRAA-YQVWRLOYSA-N 0 3 372.490 2.948 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@@H](NC(=O)c2ccccc2C)C(C)C)CC1 ZINC000106040474 508389983 /nfs/dbraw/zinc/38/99/83/508389983.db2.gz RQXGKONMAPWMBF-FQEVSTJZSA-N 0 3 371.525 2.906 10 30 FFEEHN Cc1csc(C2CCN(C[C@H](O)COc3ccc(C#N)cc3)CC2)n1 ZINC000156700053 508464597 /nfs/dbraw/zinc/46/45/97/508464597.db2.gz LQJPXQJRPSLIIE-KRWDZBQOSA-N 0 3 357.479 2.943 10 30 FFEEHN CC(C)N1C[C@H](NC(=O)N2CCC(Oc3cccc(C#N)c3)CC2)[C@@H](C)C1 ZINC000132401500 509026290 /nfs/dbraw/zinc/02/62/90/509026290.db2.gz LVTJIEAKUXJCJM-JXFKEZNVSA-N 0 3 370.497 2.840 10 30 FFEEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000245456746 509946298 /nfs/dbraw/zinc/94/62/98/509946298.db2.gz BPBILPZIVRYZAI-MSOLQXFVSA-N 0 3 372.513 2.746 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccccc1OC ZINC000177710820 510212220 /nfs/dbraw/zinc/21/22/20/510212220.db2.gz BPBILPZIVRYZAI-ZWKOTPCHSA-N 0 3 372.513 2.746 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N2CCO[C@@H](c3nc(C)cs3)C2)CC1 ZINC000194233485 510272487 /nfs/dbraw/zinc/27/24/87/510272487.db2.gz XZGPOLNHJAURMR-MRXNPFEDSA-N 0 3 364.515 2.575 10 30 FFEEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)N(CCC#N)c1ccccc1 ZINC000178292706 510531807 /nfs/dbraw/zinc/53/18/07/510531807.db2.gz IVVRWWDCKMVMNJ-IBGZPJMESA-N 0 3 351.454 2.603 10 30 FFEEHN CN(CC1CCN(C[C@H](O)c2ccccc2)CC1)C(=O)NCCCCC#N ZINC000175503094 510666480 /nfs/dbraw/zinc/66/64/80/510666480.db2.gz PIYLEXQPAIONCQ-FQEVSTJZSA-N 0 3 372.513 2.767 10 30 FFEEHN C[C@@H](CC#N)Sc1ccccc1NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000247114021 510837583 /nfs/dbraw/zinc/83/75/83/510837583.db2.gz KSUOGORPYXHWLQ-HOTGVXAUSA-N 0 3 358.511 2.799 10 30 FFEEHN CCN1CCC[C@@H](CN(C)Cc2cc(C#N)n(C)c2)[C@@H]1c1cnn(C)c1 ZINC000364589957 510958339 /nfs/dbraw/zinc/95/83/39/510958339.db2.gz OKFIWZZSJRSXAL-FXAWDEMLSA-N 0 3 354.502 2.535 10 30 FFEEHN C=C(C)[C@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000333464142 511253129 /nfs/dbraw/zinc/25/31/29/511253129.db2.gz QGPOBJYOHHYLNY-LWYYNNOASA-N 0 3 372.513 2.697 10 30 FFEEHN O=C(C[C@@H]1CCCCC(=O)N1)NCc1ccccc1CN1CC[C@H](O)C1 ZINC000328666902 511912903 /nfs/dbraw/zinc/91/29/03/511912903.db2.gz KNSGLWDWROFAQX-ROUUACIJSA-N 0 3 359.470 2.999 10 30 FFEEHN O=C(Nc1ccnc(Sc2ccccn2)c1)N1CCN2CCC[C@@H]2C1 ZINC000329488736 512057072 /nfs/dbraw/zinc/05/70/72/512057072.db2.gz HFCUMZBAZRLMOB-OAHLLOKOSA-N 0 3 355.467 2.953 10 30 FFEEHN CCN1CCC[C@@H](CN(C)C(=O)NCc2ccco2)[C@@H]1c1cnn(C)c1 ZINC000328635108 521615278 /nfs/dbraw/zinc/61/52/78/521615278.db2.gz ULVIQRICOJHDKK-MAUKXSAKSA-N 0 3 359.474 2.832 10 30 FFEEHN CCOCCOCC(=O)C(C#N)C(=O)Nc1ccc(Cl)cc1Cl ZINC000105757933 728508438 /nfs/dbraw/zinc/50/84/38/728508438.db2.gz FEAVWTFSATVISH-NSHDSACASA-N 0 3 359.209 2.694 10 30 FFEEHN CCN1CCC[C@@H](NC(=O)CCn2cnc3sc(C)c(C)c3c2=O)C1 ZINC000328916186 729795776 /nfs/dbraw/zinc/79/57/76/729795776.db2.gz RDYQOQKRHGOOPK-CQSZACIVSA-N 0 3 362.499 2.906 10 30 FFEEHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@H](Cn3cncn3)C2)cc1 ZINC000156752842 508472219 /nfs/dbraw/zinc/47/22/19/508472219.db2.gz WEYKYIGITMVZGD-INIZCTEOSA-N 0 3 364.371 2.940 10 30 FFEEHN COc1cc(C#N)ccc1OCCN1CC[C@@H](CNc2ccccn2)C1 ZINC000157743050 508605197 /nfs/dbraw/zinc/60/51/97/508605197.db2.gz OGJXJVOLBWTWOW-KRWDZBQOSA-N 0 3 352.438 2.775 10 30 FFEEHN C=C(C)COc1cccc(NC(=O)C(=O)NC[C@H]2CCCN2CC(C)C)c1 ZINC000129272943 508706022 /nfs/dbraw/zinc/70/60/22/508706022.db2.gz DRMMPOAFEFFDIA-GOSISDBHSA-N 0 3 373.497 2.817 10 30 FFEEHN C=CC[C@@H](C(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000189911703 509824565 /nfs/dbraw/zinc/82/45/65/509824565.db2.gz NYVMKNGRBCDFBD-LEWJYISDSA-N 0 3 355.526 2.975 10 30 FFEEHN C[C@H](CC#N)Sc1ccccc1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000170987719 509878225 /nfs/dbraw/zinc/87/82/25/509878225.db2.gz KSUOGORPYXHWLQ-HZPDHXFCSA-N 0 3 358.511 2.799 10 30 FFEEHN COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2N1CCC(=O)Nc1ccccc1C#N ZINC000245200315 509881458 /nfs/dbraw/zinc/88/14/58/509881458.db2.gz JLNRWXXRKSSQQU-QGTPRVQTSA-N 0 3 355.438 2.693 10 30 FFEEHN N#Cc1ccc(NC(=O)NC[C@@H](O)CN2CCCCC2)cc1C(F)(F)F ZINC000174090591 509944207 /nfs/dbraw/zinc/94/42/07/509944207.db2.gz FESQDDLQCNSFIR-CQSZACIVSA-N 0 3 370.375 2.545 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)/C=C/c2ccccc2C#N)C1 ZINC000190663028 510269477 /nfs/dbraw/zinc/26/94/77/510269477.db2.gz HPONFMIRCXHRSS-CSHXORCISA-N 0 3 360.461 2.947 10 30 FFEEHN CC[C@H]1CN(Cc2ccc(C#N)cc2Br)CCN1CCOC ZINC000181095139 510274009 /nfs/dbraw/zinc/27/40/09/510274009.db2.gz WPGQZMKCLFVRCY-INIZCTEOSA-N 0 3 366.303 2.863 10 30 FFEEHN CC[C@@H]1CN(c2c(C#N)cnc3c(F)cc(F)cc32)CCN1C[C@@H](C)O ZINC000174733455 510276909 /nfs/dbraw/zinc/27/69/09/510276909.db2.gz FBXJHSZLEJZNMH-IUODEOHRSA-N 0 3 360.408 2.666 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@@H]2c2ccccc2)CC1 ZINC000171804662 510380003 /nfs/dbraw/zinc/38/00/03/510380003.db2.gz NJLQRDJZGCIBFM-TZIWHRDSSA-N 0 3 369.509 2.753 10 30 FFEEHN CCN1CCC[C@H]1CN(C)CC(=O)N(CCC#N)c1cccc(C)c1C ZINC000175339531 510596532 /nfs/dbraw/zinc/59/65/32/510596532.db2.gz HPHBYXDHVIBJPB-IBGZPJMESA-N 0 3 356.514 2.966 10 30 FFEEHN Cc1noc([C@@H]2CCN(C(=O)N[C@@H]3CCN(C)[C@H]3c3ccccc3)C2)n1 ZINC000329075044 511977996 /nfs/dbraw/zinc/97/79/96/511977996.db2.gz PLWNHPFWGORFIK-ZACQAIPSSA-N 0 3 355.442 2.527 10 30 FFEEHN C=CCN1CCC(NC(=O)c2cc3oc(Br)cc3n2C)CC1 ZINC000223701122 729547214 /nfs/dbraw/zinc/54/72/14/729547214.db2.gz PWTCPUXRDFCKTG-UHFFFAOYSA-N 0 3 366.259 2.914 10 30 FFEEHN C=CCC[C@H](CN(C)CCN(C)C)Oc1ccc(-c2nc(C)no2)cn1 ZINC000072453560 210065286 /nfs/dbraw/zinc/06/52/86/210065286.db2.gz DLOLKQZWDKAHIN-QGZVFWFLSA-N 0 3 359.474 2.647 10 30 FFEEHN N#Cc1ccc(NC(=O)C(=O)N2CCCC[C@H](N3CCCC3)C2)cc1Cl ZINC000107666615 507861928 /nfs/dbraw/zinc/86/19/28/507861928.db2.gz HTVZZJIZAIELPB-INIZCTEOSA-N 0 3 374.872 2.627 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)C[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000106039760 508390146 /nfs/dbraw/zinc/39/01/46/508390146.db2.gz RHKBKBURTMQXKR-QGZVFWFLSA-N 0 3 359.495 2.646 10 30 FFEEHN CN(C)C[C@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000128149442 508554398 /nfs/dbraw/zinc/55/43/98/508554398.db2.gz MXJDLINXNHHQPS-QFIPXVFZSA-N 0 3 365.477 2.900 10 30 FFEEHN COc1ccc([C@H](C)NC[C@@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000128514685 508604621 /nfs/dbraw/zinc/60/46/21/508604621.db2.gz UXCOWRRIGMIDDY-WMLDXEAASA-N 0 3 356.422 2.666 10 30 FFEEHN COCCN1CCN(Cc2cn(CCC#N)nc2-c2ccccc2)C[C@H]1C ZINC000120786838 509064336 /nfs/dbraw/zinc/06/43/36/509064336.db2.gz IOJQRAWLUAGJNM-GOSISDBHSA-N 0 3 367.497 2.616 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C2(c3ccc(C#N)cc3)CC2)C1 ZINC000189347390 509531375 /nfs/dbraw/zinc/53/13/75/509531375.db2.gz FRRCSHRWRSXZQN-HXUWFJFHSA-N 0 3 374.488 2.965 10 30 FFEEHN CCc1nccn1[C@H]1CCCN(CCC(=O)Nc2cccc(C#N)c2)C1 ZINC000171524867 510207159 /nfs/dbraw/zinc/20/71/59/510207159.db2.gz ZXNAKBPEUQGEJB-SFHVURJKSA-N 0 3 351.454 2.983 10 30 FFEEHN Cc1nc([C@@H]2CCCN2C(=O)N[C@@H](C)CCN2CCN(C)CC2)cs1 ZINC000330196580 510935095 /nfs/dbraw/zinc/93/50/95/510935095.db2.gz QMVOEFYKQDGVEU-YOEHRIQHSA-N 0 3 365.547 2.528 10 30 FFEEHN C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000330222062 510941228 /nfs/dbraw/zinc/94/12/28/510941228.db2.gz MCOOGIJAKZKWKO-MTFMMBMASA-N 0 3 374.529 2.633 10 30 FFEEHN Cc1ccc([C@H](C)NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)c1 ZINC000330129603 970441168 /nfs/dbraw/zinc/44/11/68/970441168.db2.gz KBIJXUVAZZYMIN-HKUYNNGSSA-N 0 3 372.513 2.517 10 30 FFEEHN CCc1nccn1[C@@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000106214435 250254839 /nfs/dbraw/zinc/25/48/39/250254839.db2.gz QNGRVGJNFHBGFA-QGZVFWFLSA-N 0 3 351.454 2.983 10 30 FFEEHN CN(C)C[C@@H]1CN(Cc2cccc(OCc3cccc(C#N)c3)c2)CCO1 ZINC000128149237 508554701 /nfs/dbraw/zinc/55/47/01/508554701.db2.gz MXJDLINXNHHQPS-JOCHJYFZSA-N 0 3 365.477 2.900 10 30 FFEEHN COc1ccc(CN2CCC[C@@H](Cn3cncn3)C2)cc1OCCCC#N ZINC000128468083 508596711 /nfs/dbraw/zinc/59/67/11/508596711.db2.gz QGGHITUVNUUOOC-GOSISDBHSA-N 0 3 369.469 2.881 10 30 FFEEHN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000118822019 508678787 /nfs/dbraw/zinc/67/87/87/508678787.db2.gz SJPIGVUYFJRLHM-GJZGRUSLSA-N 0 3 362.499 2.875 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000130897106 508862615 /nfs/dbraw/zinc/86/26/15/508862615.db2.gz HMDLQQMAKJKQJY-ICSRJNTNSA-N 0 3 373.472 2.502 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)C(=O)CCCOc1ccc(C#N)cc1OC ZINC000176988383 509803108 /nfs/dbraw/zinc/80/31/08/509803108.db2.gz ZJUXJJALLGACJD-QGZVFWFLSA-N 0 3 359.470 2.669 10 30 FFEEHN CN(CC#Cc1ccc(Cl)cc1)C1CCN(CCn2cccn2)CC1 ZINC000177133880 509892290 /nfs/dbraw/zinc/89/22/90/509892290.db2.gz UKAUSXLIXBTAME-UHFFFAOYSA-N 0 3 356.901 2.984 10 30 FFEEHN CCn1cc(CN2CCCN(Cc3ccc(O[C@H](C)C#N)cc3)CC2)cn1 ZINC000245786012 510145957 /nfs/dbraw/zinc/14/59/57/510145957.db2.gz VERMXIVULAPEAO-GOSISDBHSA-N 0 3 367.497 2.902 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)NCc2ccc(C#N)cc2)C1 ZINC000190691246 510287430 /nfs/dbraw/zinc/28/74/30/510287430.db2.gz HXCRTKMUCRKNBC-FQEVSTJZSA-N 0 3 363.465 2.617 10 30 FFEEHN C[C@H](NC[C@H]1C[C@H](O)CN1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000182087009 510750901 /nfs/dbraw/zinc/75/09/01/510750901.db2.gz VYZNPZPMQAFWPC-WMQCIHAUSA-N 0 3 365.477 2.875 10 30 FFEEHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN2CCC[C@H]2C1 ZINC000247059349 510820363 /nfs/dbraw/zinc/82/03/63/510820363.db2.gz GRQZCOLSVGPIIK-HOTGVXAUSA-N 0 3 358.511 2.657 10 30 FFEEHN CN(C)[C@]1(CNC(=O)N2CCC[C@H](NC(=O)C(C)(C)C)C2)CCSC1 ZINC000330082578 510912834 /nfs/dbraw/zinc/91/28/34/510912834.db2.gz QEXASZSBFFZJNY-KSSFIOAISA-N 0 3 370.563 2.805 10 30 FFEEHN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(Cc2ccccc2)C1 ZINC000330086403 510914261 /nfs/dbraw/zinc/91/42/61/510914261.db2.gz SBIPNFKEIZVAHZ-YQVWRLOYSA-N 0 3 354.454 2.729 10 30 FFEEHN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CCC[C@H]1Cn1ccnc1C)CCC2 ZINC000328651258 511907673 /nfs/dbraw/zinc/90/76/73/511907673.db2.gz BKOCJUBBOIPWBP-IRXDYDNUSA-N 0 3 356.474 2.652 10 30 FFEEHN CO[C@H]1C[C@@H](C(N)=O)N(C(=O)NCCN2CCC3(CCCCC3)CC2)C1 ZINC000329011176 511967387 /nfs/dbraw/zinc/96/73/87/511967387.db2.gz OQDAZUYQBZYDOB-HOTGVXAUSA-N 0 3 366.506 2.571 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCN(C3CCC3)CC1)C2 ZINC000329383641 512037319 /nfs/dbraw/zinc/03/73/19/512037319.db2.gz OYLUWHMAAPNPGU-OAHLLOKOSA-N 0 3 359.518 2.580 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CCN(C3CCC3)CC1)C2 ZINC000329383641 512037322 /nfs/dbraw/zinc/03/73/22/512037322.db2.gz OYLUWHMAAPNPGU-OAHLLOKOSA-N 0 3 359.518 2.580 10 30 FFEEHN O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@@H](CCO)C1 ZINC000329768216 512095343 /nfs/dbraw/zinc/09/53/43/512095343.db2.gz GHKWFSMYQZLLRS-INIZCTEOSA-N 0 3 351.516 2.578 10 30 FFEEHN CCn1cc(NC(=O)C2CCN(CCOc3ccc(C#N)cc3)CC2)cn1 ZINC000063516843 507741077 /nfs/dbraw/zinc/74/10/77/507741077.db2.gz ROYSJTXXNHFEEB-UHFFFAOYSA-N 0 3 367.453 2.504 10 30 FFEEHN CN(C(=O)Nc1ccc(CC#N)cc1)C1CCN(CCn2cccn2)CC1 ZINC000109381060 507958667 /nfs/dbraw/zinc/95/86/67/507958667.db2.gz NMLFGOPUUAHJQP-UHFFFAOYSA-N 0 3 366.469 2.577 10 30 FFEEHN C=CCOc1ccc(CN2CCC(c3ccnn3CCO)CC2)cc1OC ZINC000092811261 508102309 /nfs/dbraw/zinc/10/23/09/508102309.db2.gz JGLXRBLHZLRMMO-UHFFFAOYSA-N 0 3 371.481 2.828 10 30 FFEEHN C=CC[C@H](C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000189911649 509824823 /nfs/dbraw/zinc/82/48/23/509824823.db2.gz NYVMKNGRBCDFBD-RTWAWAEBSA-N 0 3 355.526 2.975 10 30 FFEEHN CCN1CCC[C@H]1CN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000245470243 509955609 /nfs/dbraw/zinc/95/56/09/509955609.db2.gz MQRHNGZBSMZZHD-APWZRJJASA-N 0 3 360.477 2.877 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000245470244 509956360 /nfs/dbraw/zinc/95/63/60/509956360.db2.gz MQRHNGZBSMZZHD-VQIMIIECSA-N 0 3 360.477 2.877 10 30 FFEEHN N#Cc1ccc(N2CCC[C@H](N3CC[C@@]4(O)CCCC[C@@H]4C3)C2=O)cc1 ZINC000245520644 509982597 /nfs/dbraw/zinc/98/25/97/509982597.db2.gz JZCDOXAFERUHDT-LMNJBCLMSA-N 0 3 353.466 2.681 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N2C[C@@H](c3ccsc3)[C@H](CO)C2)CC1 ZINC000187037783 510020223 /nfs/dbraw/zinc/02/02/23/510020223.db2.gz KERLWSJONPUSGW-WMZOPIPTSA-N 0 3 363.527 2.506 10 30 FFEEHN C=C(C)CN(CC)C(=O)CN1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000195254222 510738989 /nfs/dbraw/zinc/73/89/89/510738989.db2.gz FJCYFYKWCUQILF-KRWDZBQOSA-N 0 3 364.559 2.630 10 30 FFEEHN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@H]1c1ccccc1 ZINC000330223372 510941656 /nfs/dbraw/zinc/94/16/56/510941656.db2.gz SIALYGZXBQXRBL-KCITZHQASA-N 0 3 354.454 2.900 10 30 FFEEHN Cc1noc([C@@H]2CCN(C(=O)N[C@@H]3CCN(C)[C@@H]3c3ccccc3)C2)n1 ZINC000329075043 511978049 /nfs/dbraw/zinc/97/80/49/511978049.db2.gz PLWNHPFWGORFIK-BRWVUGGUSA-N 0 3 355.442 2.527 10 30 FFEEHN C[C@H](CNC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1nc(-c2ccccc2)no1 ZINC000329548628 512069027 /nfs/dbraw/zinc/06/90/27/512069027.db2.gz OUQPHEXXXZDVKO-HLLBOEOZSA-N 0 3 369.469 2.780 10 30 FFEEHN CCCS(=O)(=O)N1CCC[C@@H]1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000245422763 729569630 /nfs/dbraw/zinc/56/96/30/729569630.db2.gz AHZITPNBEGIUGS-GXTWGEPZSA-N 0 3 369.512 2.647 10 30 FFEEHN C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329654755 967916800 /nfs/dbraw/zinc/91/68/00/967916800.db2.gz MAAXGXBQQOPVQB-DOTOQJQBSA-N 0 3 359.470 2.995 10 30 FFEEHN C=CCN1CCC(NC(=O)N2CC[C@H](c3cc(OC)cc(OC)c3)C2)CC1 ZINC000083655137 508250977 /nfs/dbraw/zinc/25/09/77/508250977.db2.gz YUDDXIXNHBROIF-INIZCTEOSA-N 0 3 373.497 2.853 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)C(=O)Nc1cc(C#N)ccc1OCCOC ZINC000184609132 510415032 /nfs/dbraw/zinc/41/50/32/510415032.db2.gz YHQYLAMSNPGEOA-MRXNPFEDSA-N 0 3 360.458 2.531 10 30 FFEEHN CCN1CCC[C@@H](CN(C)C(=O)Nc2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000328620960 521614304 /nfs/dbraw/zinc/61/43/04/521614304.db2.gz HMLDXEFXMROULA-MAUKXSAKSA-N 0 3 356.474 2.766 10 30 FFEEHN CCN(CC)[C@@H](C)CNS(=O)(=O)c1ccc(C(F)(F)F)cc1C#N ZINC000156455074 508423784 /nfs/dbraw/zinc/42/37/84/508423784.db2.gz WPHAUGXEEGCARG-NSHDSACASA-N 0 3 363.405 2.586 10 30 FFEEHN CC[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CCN1C[C@@H](C)O ZINC000159916983 508911267 /nfs/dbraw/zinc/91/12/67/508911267.db2.gz VAPJTPMGVNKCLY-WBVHZDCISA-N 0 3 370.415 2.714 10 30 FFEEHN C[C@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000248400591 509297226 /nfs/dbraw/zinc/29/72/26/509297226.db2.gz QIVBRUFQQOGLMO-OXJNMPFZSA-N 0 3 373.464 2.856 10 30 FFEEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C[C@@H](O)c3ccc(C#N)cc3)C[C@H]12 ZINC000248628949 509399643 /nfs/dbraw/zinc/39/96/43/509399643.db2.gz VWOKFLXVJVKQFT-FCGDIQPGSA-N 0 3 371.481 2.827 10 30 FFEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCCN(c3ccccc3C#N)CC2)C1 ZINC000176846478 509722768 /nfs/dbraw/zinc/72/27/68/509722768.db2.gz PLAMMOSRMJTSGB-MJGOQNOKSA-N 0 3 369.513 2.509 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)Nc2ccc3c(c2)CN(C)C(=O)N3)CC1 ZINC000186613785 509802691 /nfs/dbraw/zinc/80/26/91/509802691.db2.gz AEPRDWDBXXYNJQ-UHFFFAOYSA-N 0 3 357.458 2.826 10 30 FFEEHN N#Cc1cccc(OCc2ccoc2C(=O)N2CCN3CCC[C@H]3C2)c1 ZINC000171089962 509934447 /nfs/dbraw/zinc/93/44/47/509934447.db2.gz JVEYPJCVEXGVKB-KRWDZBQOSA-N 0 3 351.406 2.650 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000171804664 510380912 /nfs/dbraw/zinc/38/09/12/510380912.db2.gz NJLQRDJZGCIBFM-CTNGQTDRSA-N 0 3 369.509 2.753 10 30 FFEEHN O=C(NCC#Cc1cccc(C(F)(F)F)c1)N1CCN2CCC[C@@H]2C1 ZINC000171899800 510438126 /nfs/dbraw/zinc/43/81/26/510438126.db2.gz LWYIXVROPWNUBX-MRXNPFEDSA-N 0 3 351.372 2.547 10 30 FFEEHN CC[C@H](NC[C@H](O)COc1ccc(C#N)cc1)c1cccc([N+](=O)[O-])c1 ZINC000181554829 510470121 /nfs/dbraw/zinc/47/01/21/510470121.db2.gz FBIALZQQLWIMCP-HKUYNNGSSA-N 0 3 355.394 2.947 10 30 FFEEHN CC(C)[C@@H]1OCC[C@@H]1CNC(=O)N(C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000330328782 510964382 /nfs/dbraw/zinc/96/43/82/510964382.db2.gz LYCBNEJCRQYLGV-FYQPLNBISA-N 0 3 374.529 2.981 10 30 FFEEHN O=C(C[C@@H]1CCCCNC1=O)NCc1ccccc1CN1CC[C@@H](O)C1 ZINC000328854267 511941231 /nfs/dbraw/zinc/94/12/31/511941231.db2.gz JMUCPBKPJDXYNB-MAUKXSAKSA-N 0 3 359.470 2.856 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@@H](NC(=O)N1CCN(C3CCCC3)CC1)C2 ZINC000329249776 512013743 /nfs/dbraw/zinc/01/37/43/512013743.db2.gz XGQVAFOPNSRVBQ-MRXNPFEDSA-N 0 3 373.545 2.970 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@@H]([NH+]=C([O-])N1CCN(C3CCCC3)CC1)C2 ZINC000329249776 512013750 /nfs/dbraw/zinc/01/37/50/512013750.db2.gz XGQVAFOPNSRVBQ-MRXNPFEDSA-N 0 3 373.545 2.970 10 30 FFEEHN CCCC(=O)NCC(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000105762907 728508702 /nfs/dbraw/zinc/50/87/02/728508702.db2.gz OAHUOVPUBNVVIB-CQSZACIVSA-N 0 3 357.435 2.911 10 30 FFEEHN N#Cc1ccc(OC[C@@H](O)CN2CCC[C@@H]2c2ccc3c(c2)OCO3)cc1 ZINC000102928832 508290032 /nfs/dbraw/zinc/29/00/32/508290032.db2.gz OXUBGAQAUVGHNQ-PKOBYXMFSA-N 0 3 366.417 2.864 10 30 FFEEHN N#CCCN(C(=O)CN[C@@H]1CCCC[C@@H]1n1cccn1)c1ccccc1 ZINC000128417973 508589430 /nfs/dbraw/zinc/58/94/30/508589430.db2.gz UMCBCCPGVGJKTJ-MOPGFXCFSA-N 0 3 351.454 2.903 10 30 FFEEHN COc1cc(C#N)ccc1OCCN1CCC[C@H](Cn2nc(C)nc2C)C1 ZINC000157979990 508640870 /nfs/dbraw/zinc/64/08/70/508640870.db2.gz XOKAIEMNVILMIT-SFHVURJKSA-N 0 3 369.469 2.566 10 30 FFEEHN C[C@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000118822021 508678277 /nfs/dbraw/zinc/67/82/77/508678277.db2.gz SJPIGVUYFJRLHM-CABCVRRESA-N 0 3 362.499 2.875 10 30 FFEEHN Cn1cc(CN2CCCN(Cc3cccc(OCCCC#N)c3)CC2)cn1 ZINC000121558847 509178500 /nfs/dbraw/zinc/17/85/00/509178500.db2.gz JIPKKHOQGNNYQA-UHFFFAOYSA-N 0 3 367.497 2.811 10 30 FFEEHN N#Cc1csc(C(=O)NCC2CCN(C[C@H](O)c3ccccc3)CC2)c1 ZINC000175925662 509219234 /nfs/dbraw/zinc/21/92/34/509219234.db2.gz YJPLJVKQCJXCBJ-SFHVURJKSA-N 0 3 369.490 2.795 10 30 FFEEHN CN(C)C[C@H](NC(=O)NCCOc1ccc(C#N)cc1)c1ccccc1 ZINC000173562814 509652970 /nfs/dbraw/zinc/65/29/70/509652970.db2.gz MDXKNMWWKVEIFC-IBGZPJMESA-N 0 3 352.438 2.539 10 30 FFEEHN N#Cc1ccc(N2CCC[C@H](N3CC[C@@]4(O)CCCC[C@H]4C3)C2=O)cc1 ZINC000245520642 509982452 /nfs/dbraw/zinc/98/24/52/509982452.db2.gz JZCDOXAFERUHDT-CUWPLCDZSA-N 0 3 353.466 2.681 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(c2cc(C#N)ccc2[N+](=O)[O-])C1 ZINC000190449475 510137888 /nfs/dbraw/zinc/13/78/88/510137888.db2.gz VBLLNFXEBVWPSO-QGZVFWFLSA-N 0 3 351.410 2.820 10 30 FFEEHN C[C@@H]1CN2CCC[C@H]2CN1C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000329380745 512036996 /nfs/dbraw/zinc/03/69/96/512036996.db2.gz NRCWSMPLFALERI-APWZRJJASA-N 0 3 370.497 2.639 10 30 FFEEHN CCCS(=O)(=O)N1CCC[C@H]1C(=O)C(C#N)c1nc(C(C)C)cs1 ZINC000245422764 729569721 /nfs/dbraw/zinc/56/97/21/729569721.db2.gz AHZITPNBEGIUGS-JSGCOSHPSA-N 0 3 369.512 2.647 10 30 FFEEHN N#Cc1ccccc1OC1CCC(NC(=O)N[C@H]2CCN(C3CC3)C2)CC1 ZINC000329290164 967624262 /nfs/dbraw/zinc/62/42/62/967624262.db2.gz IIBCKCSOVJTQHO-HFCFLWKCSA-N 0 3 368.481 2.989 10 30 FFEEHN Cc1nc(C[C@H]2CCCN(CCC(=O)Nc3ccc(C#N)cc3)C2)no1 ZINC000103150236 250136627 /nfs/dbraw/zinc/13/66/27/250136627.db2.gz UALNZBQARDQSOR-MRXNPFEDSA-N 0 3 353.426 2.533 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)C[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000106039762 508390119 /nfs/dbraw/zinc/39/01/19/508390119.db2.gz RHKBKBURTMQXKR-KRWDZBQOSA-N 0 3 359.495 2.646 10 30 FFEEHN Cn1cc([C@@H]2CCN(CCC(=O)Nc3sc4c(c3C#N)CCC4)C2)cn1 ZINC000116316011 508498594 /nfs/dbraw/zinc/49/85/94/508498594.db2.gz WXORZHLOYCBBRE-CYBMUJFWSA-N 0 3 369.494 2.660 10 30 FFEEHN C[C@@H](C#N)CSc1ccccc1NC(=O)N1CCO[C@@H](CN(C)C)C1 ZINC000158187847 508668873 /nfs/dbraw/zinc/66/88/73/508668873.db2.gz REGCCIJTSCPJDO-GJZGRUSLSA-N 0 3 362.499 2.733 10 30 FFEEHN C#CCCCCNC(=O)N(C)CC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000155007189 508902937 /nfs/dbraw/zinc/90/29/37/508902937.db2.gz ZQOOOLAGSYZZJH-NRFANRHFSA-N 0 3 371.525 2.877 10 30 FFEEHN CCn1cc(C2CCN(CCC(=O)Nc3ccc(C#N)cc3)CC2)cn1 ZINC000160458082 508989820 /nfs/dbraw/zinc/98/98/20/508989820.db2.gz JBSWNIQJDXPAKS-UHFFFAOYSA-N 0 3 351.454 2.983 10 30 FFEEHN CC(C)(C)OC(=O)N[C@@H]1CC[C@@H]2CN(C[C@@H](O)c3ccc(C#N)cc3)C[C@@H]12 ZINC000248628953 509400119 /nfs/dbraw/zinc/40/01/19/509400119.db2.gz VWOKFLXVJVKQFT-NCXUSEDFSA-N 0 3 371.481 2.827 10 30 FFEEHN Cn1cc(CN2CCC(Nc3cccnn3)CC2)c(-c2ccc(C#N)cc2)n1 ZINC000180092946 509747969 /nfs/dbraw/zinc/74/79/69/509747969.db2.gz AEFITSFXWKJORM-UHFFFAOYSA-N 0 3 373.464 2.825 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)C(=O)C(=O)Nc1ccccc1SCCC#N ZINC000176906753 509757952 /nfs/dbraw/zinc/75/79/52/509757952.db2.gz KLQMBMJGZBJNGM-OAHLLOKOSA-N 0 3 374.510 2.574 10 30 FFEEHN N#Cc1cccc(OCc2ccoc2C(=O)N2CCN3CCC[C@@H]3C2)c1 ZINC000171089957 509935004 /nfs/dbraw/zinc/93/50/04/509935004.db2.gz JVEYPJCVEXGVKB-QGZVFWFLSA-N 0 3 351.406 2.650 10 30 FFEEHN COc1ccc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)cc1OCCCC#N ZINC000245724296 510108768 /nfs/dbraw/zinc/10/87/68/510108768.db2.gz IOAJGBDBLCHOQV-IEBWSBKVSA-N 0 3 373.497 2.530 10 30 FFEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000190551931 510200992 /nfs/dbraw/zinc/20/09/92/510200992.db2.gz OMSFDDAACCVMHB-MRXNPFEDSA-N 0 3 354.479 2.917 10 30 FFEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000190562355 510207809 /nfs/dbraw/zinc/20/78/09/510207809.db2.gz QGZBKQSLBHZJHW-GOSISDBHSA-N 0 3 368.506 2.846 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)[C@@H](C)C(=O)N(CCC#N)c1ccc(F)cc1 ZINC000177708509 510210594 /nfs/dbraw/zinc/21/05/94/510210594.db2.gz MQRHNGZBSMZZHD-QFBILLFUSA-N 0 3 360.477 2.877 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@H]2CCC(=O)N(C)[C@H]2c2ccccc2)CC1 ZINC000171804665 510379866 /nfs/dbraw/zinc/37/98/66/510379866.db2.gz NJLQRDJZGCIBFM-FPOVZHCZSA-N 0 3 369.509 2.753 10 30 FFEEHN Cc1nc2n(n1)CCC[C@H]2NC1CCN(Cc2ccc(C#N)cc2)CC1 ZINC000182006962 510704454 /nfs/dbraw/zinc/70/44/54/510704454.db2.gz ZJFYJCJXPHXLHL-LJQANCHMSA-N 0 3 350.470 2.547 10 30 FFEEHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000247002112 510792890 /nfs/dbraw/zinc/79/28/90/510792890.db2.gz PREPIRVKBSFHJU-UBZDQLSFSA-N 0 3 361.530 2.933 10 30 FFEEHN C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@@H](N(C)C)C3)n2)C1 ZINC000328905292 511949027 /nfs/dbraw/zinc/94/90/27/511949027.db2.gz AQUWDNSKRUJWNW-UKRRQHHQSA-N 0 3 351.520 2.556 10 30 FFEEHN CNC(=O)[C@H]1CN(C[C@@H]2CCC3(CCCCC3)O2)C[C@@H]1c1cnn(C)c1 ZINC000329146386 511992236 /nfs/dbraw/zinc/99/22/36/511992236.db2.gz XFWUSFFZMPUCAK-KSZLIROESA-N 0 3 360.502 2.904 10 30 FFEEHN O=C(C[C@@H]1CCCCNC1=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000329815548 512100540 /nfs/dbraw/zinc/10/05/40/512100540.db2.gz DNTRYHWTCTWVKI-FUHWJXTLSA-N 0 3 359.470 2.509 10 30 FFEEHN CN(Cc1ccc(C#N)cc1F)C[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000585794897 518601842 /nfs/dbraw/zinc/60/18/42/518601842.db2.gz XLNMQOKVFRFXBE-FXAWDEMLSA-N 0 3 355.461 2.946 10 30 FFEEHN CCn1nc(C(=O)N[C@H]2CCN(C3CCCC3)C2)c(=O)c2ccccc21 ZINC000329404373 967681529 /nfs/dbraw/zinc/68/15/29/967681529.db2.gz BNHKIYKSVSSLPG-AWEZNQCLSA-N 0 3 354.454 2.738 10 30 FFEEHN CCc1nccn1[C@H]1CCCN(CCC(=O)Nc2ccccc2C#N)C1 ZINC000106214437 250254867 /nfs/dbraw/zinc/25/48/67/250254867.db2.gz QNGRVGJNFHBGFA-KRWDZBQOSA-N 0 3 351.454 2.983 10 30 FFEEHN Cc1cccc(N2CCN(CC[C@H](C)Nc3nccnc3C#N)CC2)c1 ZINC000301183262 258031861 /nfs/dbraw/zinc/03/18/61/258031861.db2.gz NXWRGGLDSFTSIF-KRWDZBQOSA-N 0 3 350.470 2.669 10 30 FFEEHN CN(C(=O)Nc1ccc(F)c(C#N)c1)C1CCN(CCn2cccn2)CC1 ZINC000109385066 507959062 /nfs/dbraw/zinc/95/90/62/507959062.db2.gz RHJAHQFCWNIKMF-UHFFFAOYSA-N 0 3 370.432 2.522 10 30 FFEEHN C=CCOc1ccc(CN2CCC(N3CCO[C@H](C)C3)CC2)cc1OC ZINC000092079472 508041663 /nfs/dbraw/zinc/04/16/63/508041663.db2.gz LDGRFYWJLQXJMO-QGZVFWFLSA-N 0 3 360.498 2.945 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N[C@@H](c2nnc(C)[nH]2)c2ccccc2)CC1 ZINC000106340778 508399656 /nfs/dbraw/zinc/39/96/56/508399656.db2.gz QBUFCVKULAEBIJ-GOSISDBHSA-N 0 3 368.485 2.542 10 30 FFEEHN FC(F)(F)Oc1ccc(C#CCN2CCC[C@@H](Cn3cncn3)C2)cc1 ZINC000156753001 508471857 /nfs/dbraw/zinc/47/18/57/508471857.db2.gz WEYKYIGITMVZGD-MRXNPFEDSA-N 0 3 364.371 2.940 10 30 FFEEHN C[C@@H]1CN(Cc2ccccn2)CC[C@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000248400592 509297067 /nfs/dbraw/zinc/29/70/67/509297067.db2.gz QIVBRUFQQOGLMO-OXQOHEQNSA-N 0 3 373.464 2.856 10 30 FFEEHN N#Cc1ccccc1Cn1cccc1CN1CCC[C@H](Cn2cncn2)C1 ZINC000189512136 509611481 /nfs/dbraw/zinc/61/14/81/509611481.db2.gz BBMXEDOGULSKJB-SFHVURJKSA-N 0 3 360.465 2.912 10 30 FFEEHN CC[C@H]1CN(Cc2cn(C)nc2-c2ccc(C#N)cc2)CCN1CCOC ZINC000180100641 509751503 /nfs/dbraw/zinc/75/15/03/509751503.db2.gz UYVGCLHBGLVJQL-FQEVSTJZSA-N 0 3 367.497 2.501 10 30 FFEEHN O=C(NCCN[C@@H]1CC2(CCCC2)Oc2ccccc21)C1N=CC=CC1=O ZINC000180872537 510155649 /nfs/dbraw/zinc/15/56/49/510155649.db2.gz UVYMXEDBBIKZTE-DVSFIDLUSA-N 0 3 367.449 2.939 10 30 FFEEHN N#Cc1ccc(NC(=O)CCN2C[C@@H](c3ccsc3)[C@H](CO)C2)cc1 ZINC000188059529 510570671 /nfs/dbraw/zinc/57/06/71/510570671.db2.gz AWEFGZUCXZZMKR-WMZOPIPTSA-N 0 3 355.463 2.656 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)CC(=O)N(CCC#N)c1cc(C)cc(C)c1 ZINC000175338545 510596402 /nfs/dbraw/zinc/59/64/02/510596402.db2.gz WKQXTKCRMLEFLV-LJQANCHMSA-N 0 3 356.514 2.966 10 30 FFEEHN C=C[C@@](C)(CCOC)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000188232420 510660830 /nfs/dbraw/zinc/66/08/30/510660830.db2.gz MAXXMYFKEIZNSS-IRLDBZIGSA-N 0 3 374.525 2.777 10 30 FFEEHN N#Cc1ccsc1N1CC[C@H](N2CC[C@H]3[C@H](CCCN3C3CC3)C2)C1=O ZINC000247065370 510823783 /nfs/dbraw/zinc/82/37/83/510823783.db2.gz ZZOUEGQNZIQMIH-NJAFHUGGSA-N 0 3 370.522 2.674 10 30 FFEEHN CC[C@H]1CN(Cc2cc(C#N)ccc2Br)CCN1CCOC ZINC000191785001 510829058 /nfs/dbraw/zinc/82/90/58/510829058.db2.gz SAQDAHZXEGWAAO-INIZCTEOSA-N 0 3 366.303 2.863 10 30 FFEEHN O=C(NCCN1CCC2(CCCCC2)CC1)N1CCc2cncnc2C1 ZINC000328615923 511893710 /nfs/dbraw/zinc/89/37/10/511893710.db2.gz SBIYYJGAURKCAK-UHFFFAOYSA-N 0 3 357.502 2.795 10 30 FFEEHN C[C@H](C(=O)NC1(C#N)CCCCC1)N1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374177142 512694464 /nfs/dbraw/zinc/69/44/64/512694464.db2.gz VDRBVBAQRYYZRQ-FQBWVUSXSA-N 0 3 361.530 2.979 10 30 FFEEHN CCCC(=O)NCC(=O)C(C#N)c1nc(-c2ccc(C#N)cc2)cs1 ZINC000105763004 728508671 /nfs/dbraw/zinc/50/86/71/728508671.db2.gz IEPBMRFDTXLYJG-AWEZNQCLSA-N 0 3 352.419 2.774 10 30 FFEEHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000329672302 967933102 /nfs/dbraw/zinc/93/31/02/967933102.db2.gz UMFLWBJMXADBCE-APWZRJJASA-N 0 3 370.497 2.960 10 30 FFEEHN COc1ccccc1NC(=O)C(C#N)C(=O)c1ccc([N+](=O)[O-])cc1C ZINC000102120284 1005030913 /nfs/dbraw/zinc/03/09/13/1005030913.db2.gz VFALILBRAHYCRJ-AWEZNQCLSA-N 0 3 353.334 2.873 10 30 FFEEHN CC(=O)c1ccc(C#N)cc1N1CCN(c2ccc(CN(C)C)cn2)CC1 ZINC000302114971 258088694 /nfs/dbraw/zinc/08/86/94/258088694.db2.gz RCGRKQGFXANCDK-UHFFFAOYSA-N 0 3 363.465 2.544 10 30 FFEEHN N#Cc1ccccc1CN1CCC2(CC1)NC(=N)Nc1nc3ccccc3n12 ZINC000044154311 506816748 /nfs/dbraw/zinc/81/67/48/506816748.db2.gz AQZFILDPRZIWFY-UHFFFAOYSA-N 0 3 371.448 2.597 10 30 FFEEHN Cc1cccc(N(CCC#N)C(=O)CN2CCCN(C3CC3)CC2)c1C ZINC000061040826 507593070 /nfs/dbraw/zinc/59/30/70/507593070.db2.gz YONBDEYOGMDMQE-UHFFFAOYSA-N 0 3 354.498 2.720 10 30 FFEEHN C[C@H]1CN(C2CCN(Cc3ccc(N(C)CCC#N)cc3)CC2)CCO1 ZINC000092079611 508042040 /nfs/dbraw/zinc/04/20/40/508042040.db2.gz NFRMEDTVLJPRSX-SFHVURJKSA-N 0 3 356.514 2.722 10 30 FFEEHN CC[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CCN1CCOC ZINC000159928873 508912568 /nfs/dbraw/zinc/91/25/68/508912568.db2.gz NQWCSUHVNCVCNV-KRWDZBQOSA-N 0 3 370.415 2.979 10 30 FFEEHN C[C@H](C#N)Oc1ccc(CN(C)[C@@H]2CCCN(c3cccnn3)C2)cc1 ZINC000120196974 508948229 /nfs/dbraw/zinc/94/82/29/508948229.db2.gz BXJUQEPJNGJBEJ-SJLPKXTDSA-N 0 3 351.454 2.868 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2CCc3[nH]nc(C(F)(F)F)c3C2)CC1 ZINC000161456407 509117857 /nfs/dbraw/zinc/11/78/57/509117857.db2.gz LUPCBDRCIFUQMK-GFCCVEGCSA-N 0 3 370.419 2.690 10 30 FFEEHN C#CCCOc1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)cc1 ZINC000121577516 509178887 /nfs/dbraw/zinc/17/88/87/509178887.db2.gz HLEAKLTWRRZRKN-UHFFFAOYSA-N 0 3 352.482 2.530 10 30 FFEEHN C=CCN(CC=C)C(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000173502643 509636811 /nfs/dbraw/zinc/63/68/11/509636811.db2.gz XZXNUTWSMSDQKA-HXUWFJFHSA-N 0 3 357.498 2.816 10 30 FFEEHN N#Cc1ccsc1NC(=O)CCN1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000249600693 509723342 /nfs/dbraw/zinc/72/33/42/509723342.db2.gz YCBLVVBRCADABF-GJZGRUSLSA-N 0 3 361.492 2.718 10 30 FFEEHN C=CC[C@H](C(=O)NC[C@H](O)CN1CCc2ccccc2C1)c1ccccc1 ZINC000186499378 509741360 /nfs/dbraw/zinc/74/13/60/509741360.db2.gz SKXPJWNJXDXAJT-VXKWHMMOSA-N 0 3 364.489 2.882 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)[C@H](C)C(=O)Nc1sc2c(c1C#N)CCC2 ZINC000245475056 509958018 /nfs/dbraw/zinc/95/80/18/509958018.db2.gz RMRBPWXWZHYJSD-ZIAGYGMSSA-N 0 3 360.527 2.852 10 30 FFEEHN Cc1nccn1C[C@@H]1CCCN1[C@H]1CCCN(c2ccc(C#N)cc2)C1=O ZINC000245528580 509985443 /nfs/dbraw/zinc/98/54/43/509985443.db2.gz QTGZGYMWFYIZTD-PMACEKPBSA-N 0 3 363.465 2.723 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)CCc2ccc(C#N)cc2)C1 ZINC000190586791 510224026 /nfs/dbraw/zinc/22/40/26/510224026.db2.gz ORQHPUJMOHRJAK-NRFANRHFSA-N 0 3 362.477 2.866 10 30 FFEEHN C=CCN1CCC(NC(=O)N2CCC[C@@H]2C[C@@H](O)c2ccccc2)CC1 ZINC000174776638 510306029 /nfs/dbraw/zinc/30/60/29/510306029.db2.gz VGIYJOPUOMRESO-WOJBJXKFSA-N 0 3 357.498 2.935 10 30 FFEEHN C[C@H](NC[C@H](O)CN1CCc2ccccc2C1)c1ccc(OCC#N)cc1 ZINC000182000249 510701471 /nfs/dbraw/zinc/70/14/71/510701471.db2.gz QEBJCOWZBJXQOU-UWJYYQICSA-N 0 3 365.477 2.659 10 30 FFEEHN C[C@@H](C(=O)NC1(C#N)CCCCC1)N1CCC(N2CCO[C@H](C)C2)CC1 ZINC000328813780 511935471 /nfs/dbraw/zinc/93/54/71/511935471.db2.gz BWVZDHYZXOMBAJ-SJORKVTESA-N 0 3 362.518 2.743 10 30 FFEEHN Cn1ccnc1[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCN(C)[C@@H]1c1ccccc1 ZINC000328932088 511952694 /nfs/dbraw/zinc/95/26/94/511952694.db2.gz BLOFWCJQMFRKOG-XMTFNYHQSA-N 0 3 354.454 2.900 10 30 FFEEHN C[C@@H]1CCCN(Cc2csc(NC(=O)N3CCN4CCC[C@H]4C3)n2)C1 ZINC000329349578 512031926 /nfs/dbraw/zinc/03/19/26/512031926.db2.gz DWACTEWJGKIKIG-ZBFHGGJFSA-N 0 3 363.531 2.701 10 30 FFEEHN C[C@H]1CCCN(Cc2csc(NC(=O)N3CCN4CCC[C@H]4C3)n2)C1 ZINC000329349577 512032409 /nfs/dbraw/zinc/03/24/09/512032409.db2.gz DWACTEWJGKIKIG-HOCLYGCPSA-N 0 3 363.531 2.701 10 30 FFEEHN C[C@H]1CN2CCC[C@H]2CN1C(=O)C1CCN(C(=O)Nc2ccccc2)CC1 ZINC000329380747 512036527 /nfs/dbraw/zinc/03/65/27/512036527.db2.gz NRCWSMPLFALERI-LPHOPBHVSA-N 0 3 370.497 2.639 10 30 FFEEHN COc1cccc([C@@H]2[C@H](NC(=O)[C@@H]3C[C@H](OC)CN3C)CCN2C2CC2)c1 ZINC000329035223 965961574 /nfs/dbraw/zinc/96/15/74/965961574.db2.gz MPTYITZKCOFUKM-ZGXWSNOMSA-N 0 3 373.497 2.649 10 30 FFEEHN C=CCN(CC=C)[C@H](CNC(=O)N[C@@H](C)c1nnc2n1CCCC2)C(C)C ZINC000153258095 508565481 /nfs/dbraw/zinc/56/54/81/508565481.db2.gz RSXBTYGDDIEZPP-DLBZAZTESA-N 0 3 374.533 2.673 10 30 FFEEHN COc1cc(C#N)ccc1OCCN1CC[C@H](CNc2ccccn2)C1 ZINC000157742897 508605068 /nfs/dbraw/zinc/60/50/68/508605068.db2.gz OGJXJVOLBWTWOW-QGZVFWFLSA-N 0 3 352.438 2.775 10 30 FFEEHN C=C(C)[C@@H](NC(=O)N1CCO[C@@H](CN(C)C)C1)c1ccc(F)c(F)c1 ZINC000185835222 509377328 /nfs/dbraw/zinc/37/73/28/509377328.db2.gz VJQZAHOINFMXOC-WMLDXEAASA-N 0 3 353.413 2.554 10 30 FFEEHN C[C@@H](NCc1ccccc1C(C)(C)C#N)c1ccc(S(N)(=O)=O)cc1 ZINC000182857098 509462318 /nfs/dbraw/zinc/46/23/18/509462318.db2.gz CXAOQWRDOJAELM-CQSZACIVSA-N 0 3 357.479 2.986 10 30 FFEEHN C=CCN(CC=C)C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000173502629 509636578 /nfs/dbraw/zinc/63/65/78/509636578.db2.gz XZXNUTWSMSDQKA-FQEVSTJZSA-N 0 3 357.498 2.816 10 30 FFEEHN N#Cc1ccc(NC(=O)NC[C@H](O)CN2CCCCC2)cc1C(F)(F)F ZINC000174090583 509943332 /nfs/dbraw/zinc/94/33/32/509943332.db2.gz FESQDDLQCNSFIR-AWEZNQCLSA-N 0 3 370.375 2.545 10 30 FFEEHN Cc1nc(C[C@H]2CCCN(CCC(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000171409199 510141959 /nfs/dbraw/zinc/14/19/59/510141959.db2.gz VGJFOBNEGXVRNQ-MRXNPFEDSA-N 0 3 353.426 2.533 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(Cc2cnc3ccc(C#N)cn23)C1 ZINC000190482116 510156082 /nfs/dbraw/zinc/15/60/82/510156082.db2.gz PFPRBHMQHJUBQR-LJQANCHMSA-N 0 3 360.465 2.555 10 30 FFEEHN Cc1ncsc1CN(C)C[C@H]1CCN(C(=O)c2cc(C#N)cs2)C1 ZINC000190557013 510204519 /nfs/dbraw/zinc/20/45/19/510204519.db2.gz DDMODUSUODECOB-CYBMUJFWSA-N 0 3 360.508 2.979 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)/C=C/c2ccccc2C#N)C1 ZINC000190663007 510268810 /nfs/dbraw/zinc/26/88/10/510268810.db2.gz HPONFMIRCXHRSS-SGQUHAKNSA-N 0 3 360.461 2.947 10 30 FFEEHN N#Cc1ccc([C@@H](O)CN2CCC(C(=O)N3CCCCCC3)CC2)cc1 ZINC000177992073 510363802 /nfs/dbraw/zinc/36/38/02/510363802.db2.gz KQYRXNXYVVOSCT-FQEVSTJZSA-N 0 3 355.482 2.706 10 30 FFEEHN CC[C@H]1CN(CC#Cc2ccc(OC(F)(F)F)cc2)CCN1C[C@H](C)O ZINC000246522799 510535119 /nfs/dbraw/zinc/53/51/19/510535119.db2.gz VAPJTPMGVNKCLY-RDJZCZTQSA-N 0 3 370.415 2.714 10 30 FFEEHN Cn1cc([C@H](NC(=O)N2CC[C@H]3CCN(C)C[C@@H]32)c2ccc(F)cc2)cn1 ZINC000330127236 510920832 /nfs/dbraw/zinc/92/08/32/510920832.db2.gz MRVYXMHRDNRASX-MDASCCDHSA-N 0 3 371.460 2.589 10 30 FFEEHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@@H]21)c1ccccc1-n1cccn1 ZINC000329429070 512044742 /nfs/dbraw/zinc/04/47/42/512044742.db2.gz JSINFNXOXJRWBB-BXWFABGCSA-N 0 3 353.470 2.873 10 30 FFEEHN CN1CCC[C@H](CNC(=O)N[C@@H]2CCCNC2=O)[C@H]1c1cccs1 ZINC000329810238 512100571 /nfs/dbraw/zinc/10/05/71/512100571.db2.gz QOFLAHTVAMQUQS-NFAWXSAZSA-N 0 3 350.488 2.754 10 30 FFEEHN CC(C)N1C[C@@H](C)[C@@H](NC(=O)N2CCC[C@@H](c3noc(C4CC4)n3)C2)C1 ZINC000329830799 512102718 /nfs/dbraw/zinc/10/27/18/512102718.db2.gz SNNBRYIMDUCIGJ-BMFZPTHFSA-N 0 3 361.490 2.769 10 30 FFEEHN CCOCCOCC(=O)C(C#N)C(=O)Nc1cc(Cl)cc(Cl)c1 ZINC000105758198 728508376 /nfs/dbraw/zinc/50/83/76/728508376.db2.gz HKAJVQVUMZWBRQ-ZDUSSCGKSA-N 0 3 359.209 2.694 10 30 FFEEHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)Nc1ccc2c(c1)OCCCO2 ZINC000329654758 967914648 /nfs/dbraw/zinc/91/46/48/967914648.db2.gz MAAXGXBQQOPVQB-WBVHZDCISA-N 0 3 359.470 2.995 10 30 FFEEHN Cn1ccnc1CC1CCN(CCC(=O)Nc2sccc2C#N)CC1 ZINC000106166104 250246285 /nfs/dbraw/zinc/24/62/85/250246285.db2.gz PJEXUJBELLBWLG-UHFFFAOYSA-N 0 3 357.483 2.637 10 30 FFEEHN CC(C)CC(=O)C1=C(O)C(=O)N(CCCN(C)C)[C@H]1c1ccc(O)cc1 ZINC000040358480 220902490 /nfs/dbraw/zinc/90/24/90/220902490.db2.gz PDBHWOLTAQOESO-SFHVURJKSA-N 0 3 360.454 2.655 10 30 FFEEHN C=CCC[C@H](CN1CCCOCC1)Oc1ccc(Cn2ccnc2)cn1 ZINC000072411680 507785803 /nfs/dbraw/zinc/78/58/03/507785803.db2.gz HOUVQCCNNVKJAP-LJQANCHMSA-N 0 3 356.470 2.762 10 30 FFEEHN C=C[C@H](CC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000089505510 507843641 /nfs/dbraw/zinc/84/36/41/507843641.db2.gz ZYOVUVUHNMRYAJ-CTNGQTDRSA-N 0 3 355.526 2.975 10 30 FFEEHN N#CCCCOc1cccc(CN2CCC(c3ccnn3CCO)CC2)c1 ZINC000092811179 508102236 /nfs/dbraw/zinc/10/22/36/508102236.db2.gz GQNKRRQJSZBANL-UHFFFAOYSA-N 0 3 368.481 2.938 10 30 FFEEHN C=CCN(CC=C)[C@@H](CNC(=O)N1CC[C@H](c2cnn(C)c2)C1)C(C)C ZINC000116531278 508525263 /nfs/dbraw/zinc/52/52/63/508525263.db2.gz DHHYEEPOZKKZAH-HKUYNNGSSA-N 0 3 359.518 2.618 10 30 FFEEHN COc1ccc([C@@H](C)NC[C@H](O)COc2ccc(C#N)cc2)cc1OC ZINC000128514468 508605146 /nfs/dbraw/zinc/60/51/46/508605146.db2.gz UXCOWRRIGMIDDY-PBHICJAKSA-N 0 3 356.422 2.666 10 30 FFEEHN C[C@@H](CC#N)Sc1ccccc1NC(=O)N1CCO[C@H](CN(C)C)C1 ZINC000118822014 508678974 /nfs/dbraw/zinc/67/89/74/508678974.db2.gz SJPIGVUYFJRLHM-LSDHHAIUSA-N 0 3 362.499 2.875 10 30 FFEEHN C=CCN1CCC(NC(=O)N[C@H](C)c2cccc(-n3ccnc3)c2)CC1 ZINC000173196594 509449192 /nfs/dbraw/zinc/44/91/92/509449192.db2.gz IBELVKRUULXTRC-MRXNPFEDSA-N 0 3 353.470 2.883 10 30 FFEEHN COc1cc(C#N)ccc1OCC(=O)N[C@@H](C)CN(C)Cc1ccccc1 ZINC000179712812 509585700 /nfs/dbraw/zinc/58/57/00/509585700.db2.gz XWMXTXLMXZNTLB-INIZCTEOSA-N 0 3 367.449 2.582 10 30 FFEEHN CCN1CCC[C@H]1CN(C)C(=O)CCCOc1ccc(C#N)cc1OC ZINC000176988400 509803540 /nfs/dbraw/zinc/80/35/40/509803540.db2.gz ZJUXJJALLGACJD-KRWDZBQOSA-N 0 3 359.470 2.669 10 30 FFEEHN C=CC[C@@H](C(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000189911690 509824905 /nfs/dbraw/zinc/82/49/05/509824905.db2.gz NYVMKNGRBCDFBD-NHCUHLMSSA-N 0 3 355.526 2.975 10 30 FFEEHN Cc1c(C#N)cccc1NC(=O)N1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000180625669 510022260 /nfs/dbraw/zinc/02/22/60/510022260.db2.gz GAINEGFWSYAOJL-GOSISDBHSA-N 0 3 355.486 2.501 10 30 FFEEHN CN(Cc1cccnc1)C[C@H]1CCN(c2ccc([N+](=O)[O-])cc2C#N)C1 ZINC000190449655 510137750 /nfs/dbraw/zinc/13/77/50/510137750.db2.gz OQOZAFWOZXDFCB-MRXNPFEDSA-N 0 3 351.410 2.820 10 30 FFEEHN Cc1nc(C[C@@H]2CCCN(CCC(=O)Nc3cccc(C#N)c3)C2)no1 ZINC000171409195 510141532 /nfs/dbraw/zinc/14/15/32/510141532.db2.gz VGJFOBNEGXVRNQ-INIZCTEOSA-N 0 3 353.426 2.533 10 30 FFEEHN Cc1nccn1C[C@H]1CCCN1[C@H](C)C(=O)N(CCC#N)c1ccccc1 ZINC000245921290 510207465 /nfs/dbraw/zinc/20/74/65/510207465.db2.gz GKXLOPSKJURWGI-YLJYHZDGSA-N 0 3 365.481 2.991 10 30 FFEEHN COCCCNC(=O)C(C#N)C(=O)[C@H]1C[C@@H]1c1ccc(Cl)c(Cl)c1 ZINC000171034678 728995771 /nfs/dbraw/zinc/99/57/71/728995771.db2.gz JTDHOQQPYHDUEB-FRRDWIJNSA-N 0 3 369.248 2.958 10 30 FFEEHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CC[C@@H](c3cnn(C)c3)C2)C1 ZINC000329353648 967657407 /nfs/dbraw/zinc/65/74/07/967657407.db2.gz YBOWAXKXYANFCX-POAQFYNOSA-N 0 3 367.497 2.959 10 30 FFEEHN CN(CCC#N)c1ccc(CN2CCC(N(C)c3cccnn3)CC2)cc1 ZINC000093272660 508131941 /nfs/dbraw/zinc/13/19/41/508131941.db2.gz XGBISKWEWOKBMW-UHFFFAOYSA-N 0 3 364.497 2.927 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N2CCC[C@@H](n3ccnc3CC)C2)CC1 ZINC000152938713 508532732 /nfs/dbraw/zinc/53/27/32/508532732.db2.gz DHWKZTFBIYPUMW-GOSISDBHSA-N 0 3 359.518 2.833 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)[C@@H]2CC(=O)N(C)[C@H]2c2ccc(F)cc2)CC1 ZINC000130896892 508862427 /nfs/dbraw/zinc/86/24/27/508862427.db2.gz HMDLQQMAKJKQJY-QUCCMNQESA-N 0 3 373.472 2.502 10 30 FFEEHN C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1Nc1cnn(-c2ncccc2C#N)c1 ZINC000186014487 509480927 /nfs/dbraw/zinc/48/09/27/509480927.db2.gz QIVBRUFQQOGLMO-UZLBHIALSA-N 0 3 373.464 2.856 10 30 FFEEHN C=C(C)COc1cc(CN2C[C@@H](C)[C@@H](N3CCOCC3)C2)ccc1OC ZINC000180236703 509827388 /nfs/dbraw/zinc/82/73/88/509827388.db2.gz OZNOTEKATCVWKZ-MJGOQNOKSA-N 0 3 360.498 2.803 10 30 FFEEHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CC[C@H](N(C)C)C2)cc1 ZINC000171081340 509929297 /nfs/dbraw/zinc/92/92/97/509929297.db2.gz DEMXPMKCSUUPKY-SFHVURJKSA-N 0 3 356.470 2.669 10 30 FFEEHN C[C@@H](NCC(=O)NC1(C#N)CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180675848 510049720 /nfs/dbraw/zinc/04/97/20/510049720.db2.gz QHEMARUGKUQAPV-MRXNPFEDSA-N 0 3 351.454 2.866 10 30 FFEEHN C[C@H](N[C@@H]1CCO[C@@H]1C1CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000330259537 510949464 /nfs/dbraw/zinc/94/94/64/510949464.db2.gz NMHNJXAHQAMDJI-BOFPYLFWSA-N 0 3 357.454 2.947 10 30 FFEEHN C[C@@H]1CCCN(Cc2csc(NC(=O)N3CC[C@H](N(C)C)C3)n2)C1 ZINC000328905290 511949047 /nfs/dbraw/zinc/94/90/47/511949047.db2.gz AQUWDNSKRUJWNW-HIFRSBDPSA-N 0 3 351.520 2.556 10 30 FFEEHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1cccc(-n2ccnc2)c1 ZINC000329268955 512017350 /nfs/dbraw/zinc/01/73/50/512017350.db2.gz GUUFLUZOYLDIGN-TXPKVOOTSA-N 0 3 353.470 2.873 10 30 FFEEHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329378256 512036572 /nfs/dbraw/zinc/03/65/72/512036572.db2.gz OYCZTMCJICEWDG-FGTMMUONSA-N 0 3 356.470 2.788 10 30 FFEEHN CS(=O)(=O)[C@@H]1CCCC[C@H]1NC(=O)[C@H]1CCN(C2CCCCC2)C1 ZINC000329439166 512047118 /nfs/dbraw/zinc/04/71/18/512047118.db2.gz JWRFCSDPJIVZAA-USXIJHARSA-N 0 3 356.532 2.953 10 30 FFEEHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)N[C@@H]1CCC(=O)N[C@H]1C(C)(C)C ZINC000329703840 512088171 /nfs/dbraw/zinc/08/81/71/512088171.db2.gz JCKRWAYUFLAFOC-JYYAWHABSA-N 0 3 350.507 2.993 10 30 FFEEHN CN(Cc1ccc(F)c(C#N)c1)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000500412668 515696954 /nfs/dbraw/zinc/69/69/54/515696954.db2.gz WQHBYUUJPYCJKU-OXJNMPFZSA-N 0 3 355.461 2.946 10 30 FFEEHN O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@@H]1CCCNC1=O ZINC000328701913 729794676 /nfs/dbraw/zinc/79/46/76/729794676.db2.gz WYXXTNWTCWUNLL-MRXNPFEDSA-N 0 3 362.499 2.723 10 30 FFEEHN N#Cc1cccc(OC2CCN(C[C@H](O)COCc3ccccc3)CC2)c1 ZINC000104963126 250191559 /nfs/dbraw/zinc/19/15/59/250191559.db2.gz QSKHGNKSYNHTSE-FQEVSTJZSA-N 0 3 366.461 2.979 10 30 FFEEHN Cc1cc(N(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(C#N)c(C)n1 ZINC000302395458 258100681 /nfs/dbraw/zinc/10/06/81/258100681.db2.gz CVRSJWIYZXDZTP-NRFANRHFSA-N 0 3 350.466 2.643 10 30 FFEEHN N#Cc1cc(S(=O)(=O)N2CCCC[C@@H](N3CCCC3)C2)ccc1Cl ZINC000107708719 507864417 /nfs/dbraw/zinc/86/44/17/507864417.db2.gz IZZJHGIIOOKYJQ-OAHLLOKOSA-N 0 3 367.902 2.851 10 30 FFEEHN C[C@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)N(C)Cc1ccccc1 ZINC000110347985 508022204 /nfs/dbraw/zinc/02/22/04/508022204.db2.gz NVUVYQRDHIFEGX-IRXDYDNUSA-N 0 3 351.450 2.962 10 30 FFEEHN C=CCc1cc(CN2CCC(c3ccnn3CCO)CC2)cc(OC)c1O ZINC000092811181 508102467 /nfs/dbraw/zinc/10/24/67/508102467.db2.gz PGPAXDAQMAALCB-UHFFFAOYSA-N 0 3 371.481 2.698 10 30 FFEEHN CN(C)C[C@H]1CN(C(=O)c2cccc(Oc3ccc(C#N)cc3)c2)CCO1 ZINC000116784988 508561354 /nfs/dbraw/zinc/56/13/54/508561354.db2.gz YTENQHPTFDHMEU-FQEVSTJZSA-N 0 3 365.433 2.753 10 30 FFEEHN CN(CC#Cc1cccc(Cl)c1)C1CCN(CCn2cccn2)CC1 ZINC000159941269 508915155 /nfs/dbraw/zinc/91/51/55/508915155.db2.gz ZVHBMJOUQXRJPU-UHFFFAOYSA-N 0 3 356.901 2.984 10 30 FFEEHN C=C(C)[C@H](NC(=O)NC[C@H](O)CN1CCCCC1)c1ccc(F)c(F)c1 ZINC000185839669 509380823 /nfs/dbraw/zinc/38/08/23/509380823.db2.gz ZYQGUZLOXDHUNH-YJBOKZPZSA-N 0 3 367.440 2.728 10 30 FFEEHN C[C@H](C#N)Oc1ccc(CN2CCC[C@@H](c3nc(N(C)C)no3)C2)cc1 ZINC000249036365 509577450 /nfs/dbraw/zinc/57/74/50/509577450.db2.gz STGXEUQJPWPFIE-GDBMZVCRSA-N 0 3 355.442 2.806 10 30 FFEEHN CN1C(=O)C[C@H](NC[C@@H](O)c2ccc(C#N)cc2)[C@@H]1c1ccc(Cl)cc1 ZINC000249134966 509617551 /nfs/dbraw/zinc/61/75/51/509617551.db2.gz YOQAHGXDRQTWFB-NSHGMRRFSA-N 0 3 369.852 2.807 10 30 FFEEHN C[C@@H](C#N)CSc1ccccc1NC(=O)CN1CCN2CCC[C@@H]2C1 ZINC000170987726 509878108 /nfs/dbraw/zinc/87/81/08/509878108.db2.gz GRQZCOLSVGPIIK-JKSUJKDBSA-N 0 3 358.511 2.657 10 30 FFEEHN C=C(C)COc1cc(CN2CCN(C[C@H](C)O)[C@H](CC)C2)ccc1OC ZINC000245745854 510123937 /nfs/dbraw/zinc/12/39/37/510123937.db2.gz MUCJMRKJYFSLOG-PKOBYXMFSA-N 0 3 362.514 2.927 10 30 FFEEHN C=C(C)COc1cc(CN2C[C@@H](C)[C@H](N3CCOCC3)C2)ccc1OC ZINC000245757824 510132775 /nfs/dbraw/zinc/13/27/75/510132775.db2.gz OZNOTEKATCVWKZ-IEBWSBKVSA-N 0 3 360.498 2.803 10 30 FFEEHN Cc1ncsc1CN(C)C[C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000190551907 510201699 /nfs/dbraw/zinc/20/16/99/510201699.db2.gz OMSFDDAACCVMHB-INIZCTEOSA-N 0 3 354.479 2.917 10 30 FFEEHN N#Cc1ccc([C@H](O)CN2CCCN(Cc3ccc(F)cc3)CC2)cc1 ZINC000245966881 510231918 /nfs/dbraw/zinc/23/19/18/510231918.db2.gz DURWRXIRYYWWKJ-OAQYLSRUSA-N 0 3 353.441 2.939 10 30 FFEEHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)c2ccccc2OCC#N)C1 ZINC000190641311 510255629 /nfs/dbraw/zinc/25/56/29/510255629.db2.gz DEGDJKMRUJXSPU-SFHVURJKSA-N 0 3 364.449 2.578 10 30 FFEEHN C=C[C@@](C)(CCOC)C(=O)NCC1CCN(C[C@H](O)c2ccccc2)CC1 ZINC000188232375 510660819 /nfs/dbraw/zinc/66/08/19/510660819.db2.gz MAXXMYFKEIZNSS-UNMCSNQZSA-N 0 3 374.525 2.777 10 30 FFEEHN Cc1cn2c(n1)[C@H](C[NH+]=C([O-])N1CCC[C@@H]1Cn1ccnc1C)CCC2 ZINC000328651257 511907557 /nfs/dbraw/zinc/90/75/57/511907557.db2.gz BKOCJUBBOIPWBP-DLBZAZTESA-N 0 3 356.474 2.652 10 30 FFEEHN CN1CCC[C@@H]1CNC(=O)N1CCO[C@@H](c2nc(C(C)(C)C)cs2)C1 ZINC000328742365 511924684 /nfs/dbraw/zinc/92/46/84/511924684.db2.gz NXIHTEUZWSLGEI-ZIAGYGMSSA-N 0 3 366.531 2.822 10 30 FFEEHN O=C(NCC1CCN(Cc2cccs2)CC1)N1CC[C@H](CCO)C1 ZINC000329768217 512095235 /nfs/dbraw/zinc/09/52/35/512095235.db2.gz GHKWFSMYQZLLRS-MRXNPFEDSA-N 0 3 351.516 2.578 10 30 FFEEHN CCN1CCC[C@H](NC(=O)[C@H]2CC(=O)N(c3cc(F)cc(F)c3)C2)C1 ZINC000328783514 729795178 /nfs/dbraw/zinc/79/51/78/729795178.db2.gz JYUXYJPTBUYJRW-WFASDCNBSA-N 0 3 351.397 2.759 10 30 FFEEHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CC[C@]2(O)CCCC[C@H]2C1 ZINC000330180136 970777058 /nfs/dbraw/zinc/77/70/58/970777058.db2.gz NDNKODMSHHPKDB-QKNQBKEWSA-N 0 3 357.498 2.802 10 30 FFEEHN C=CCNC(=O)NC(=O)[C@H](C)N[C@H](C)c1cccc(Br)c1 ZINC000075671806 508126689 /nfs/dbraw/zinc/12/66/89/508126689.db2.gz LULCMYNLICZPLP-MNOVXSKESA-N 0 3 354.248 2.500 10 30 FFEEHN Cn1cc([C@@H]2CCN(CCC(=O)Nc3ccc(C#N)c(Cl)c3)C2)cn1 ZINC000116314263 508498270 /nfs/dbraw/zinc/49/82/70/508498270.db2.gz VMCOUZBKYASPAZ-CQSZACIVSA-N 0 3 357.845 2.763 10 30 FFEEHN N#Cc1ccccc1Cn1cccc1CN1CCC[C@@H](Cn2cncn2)C1 ZINC000189512162 509612253 /nfs/dbraw/zinc/61/22/53/509612253.db2.gz BBMXEDOGULSKJB-GOSISDBHSA-N 0 3 360.465 2.912 10 30 FFEEHN C=CCCO[C@@H](C)C(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000251713998 509818083 /nfs/dbraw/zinc/81/80/83/509818083.db2.gz KRVITEUYVSTOQZ-HOTGVXAUSA-N 0 3 351.516 2.713 10 30 FFEEHN C=C(C)COc1cccc(NC(=O)C(=O)N2C[C@H]3CCCN3C[C@@H]2CC)c1 ZINC000190353094 510081260 /nfs/dbraw/zinc/08/12/60/510081260.db2.gz HQEUWGQLMLWZCF-ZWKOTPCHSA-N 0 3 371.481 2.665 10 30 FFEEHN C[C@@H](CN(C)Cc1ccccc1)NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000245842130 510164911 /nfs/dbraw/zinc/16/49/11/510164911.db2.gz KBAWRIWJIZVSAA-IRXDYDNUSA-N 0 3 351.450 2.962 10 30 FFEEHN C[C@H](NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1)c1ccc(OCC#N)cc1 ZINC000245948161 510223677 /nfs/dbraw/zinc/22/36/77/510223677.db2.gz VYZNPZPMQAFWPC-DZFGPLHGSA-N 0 3 365.477 2.875 10 30 FFEEHN C[C@@H](C(=O)N(C)C1(C#N)CCC(C)CC1)N1CC[C@@]2(O)CCCC[C@H]2C1 ZINC000247002054 510792711 /nfs/dbraw/zinc/79/27/11/510792711.db2.gz PREPIRVKBSFHJU-QQLHUISISA-N 0 3 361.530 2.933 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@H](NC(=O)N1CCN3CCCC[C@@H]3C1)C2 ZINC000329300751 512022708 /nfs/dbraw/zinc/02/27/08/512022708.db2.gz VNARRAWLDVQRRT-JKSUJKDBSA-N 0 3 359.518 2.580 10 30 FFEEHN CC(C)(C)c1cn2c(n1)CC[C@H]([NH+]=C([O-])N1CCN3CCCC[C@@H]3C1)C2 ZINC000329300751 512022710 /nfs/dbraw/zinc/02/27/10/512022710.db2.gz VNARRAWLDVQRRT-JKSUJKDBSA-N 0 3 359.518 2.580 10 30 FFEEHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2C[C@H](O)c2cccs2)cc1 ZINC000252652241 251310948 /nfs/dbraw/zinc/31/09/48/251310948.db2.gz IXMWSVBJCSCRAA-LMMKCTJWSA-N 0 3 372.490 2.948 10 30 FFEEHN Cc1cccc(NC(=S)N/N=C2\C3CN4CC2(C(C)C)CN(C3)CC4)c1 ZINC000020408320 220325413 /nfs/dbraw/zinc/32/54/13/220325413.db2.gz YNMYFSFVPLUJOA-RELWKKBWSA-N 0 3 371.554 2.541 10 30 FFEEHN C=C(C)CN1CCC(NC(=O)N[C@H](c2nnc(C)[nH]2)c2ccccc2)CC1 ZINC000106340779 508399528 /nfs/dbraw/zinc/39/95/28/508399528.db2.gz QBUFCVKULAEBIJ-SFHVURJKSA-N 0 3 368.485 2.542 10 30 FFEEHN COc1cc(C#N)ccc1OCCN1CCC(Cc2nccn2C)CC1 ZINC000157977163 508640792 /nfs/dbraw/zinc/64/07/92/508640792.db2.gz FVKROIPLZZWUHI-UHFFFAOYSA-N 0 3 354.454 2.634 10 30 FFEEHN COC(=O)[C@@H]1C[C@H](c2ccccc2)CN(C[C@H](O)c2ccc(C#N)cc2)C1 ZINC000158597445 508726783 /nfs/dbraw/zinc/72/67/83/508726783.db2.gz CGBYJXZKIKXJNT-HBMCJLEFSA-N 0 3 364.445 2.870 10 30 FFEEHN C=C(C)[C@@H](NC(=O)N1CCO[C@H](CN(C)C)C1)c1ccc(F)c(F)c1 ZINC000185835187 509377223 /nfs/dbraw/zinc/37/72/23/509377223.db2.gz VJQZAHOINFMXOC-RHSMWYFYSA-N 0 3 353.413 2.554 10 30 FFEEHN N#CCCn1cc(CN2CCC[C@H](n3cncn3)C2)c(-c2ccccc2)n1 ZINC000179464812 509457744 /nfs/dbraw/zinc/45/77/44/509457744.db2.gz LECLHCKWRYZCKG-IBGZPJMESA-N 0 3 361.453 2.892 10 30 FFEEHN C=CCNC(=O)NC(=O)CN[C@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000180062536 509731407 /nfs/dbraw/zinc/73/14/07/509731407.db2.gz PMYCWBFJXAGPBC-HNNXBMFYSA-N 0 3 355.360 2.758 10 30 FFEEHN COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2N1CCC(=O)Nc1ccccc1C#N ZINC000245200311 509881628 /nfs/dbraw/zinc/88/16/28/509881628.db2.gz JLNRWXXRKSSQQU-OLMNPRSZSA-N 0 3 355.438 2.693 10 30 FFEEHN CCN1CCC[C@@H]1CN(C)C(=O)NCCSCc1ccccc1C#N ZINC000177337352 510003038 /nfs/dbraw/zinc/00/30/38/510003038.db2.gz YRSLDYRDGFIPLQ-GOSISDBHSA-N 0 3 360.527 2.917 10 30 FFEEHN Cc1c(C#N)cccc1NC(=O)N1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000180625652 510021712 /nfs/dbraw/zinc/02/17/12/510021712.db2.gz GAINEGFWSYAOJL-SFHVURJKSA-N 0 3 355.486 2.501 10 30 FFEEHN C[C@H](C#N)Oc1ccc(CNC[C@H]2C[C@@H](O)CN2Cc2ccccc2)cc1 ZINC000245630045 510049916 /nfs/dbraw/zinc/04/99/16/510049916.db2.gz SBXFZHQMQZMNFS-DUXKGJEZSA-N 0 3 365.477 2.702 10 30 FFEEHN C=C(C)COCCNC(=O)N1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000190727420 510310889 /nfs/dbraw/zinc/31/08/89/510310889.db2.gz MBFFOQKPALEPSB-INIZCTEOSA-N 0 3 366.531 2.508 10 30 FFEEHN Cc1c(C#N)cccc1NC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000178566770 510666675 /nfs/dbraw/zinc/66/66/75/510666675.db2.gz MLYXYNFDMRWXDX-UHFFFAOYSA-N 0 3 366.469 2.692 10 30 FFEEHN Cc1nccn1C[C@@H]1CCCN1CC(=O)Nc1ccc(C#N)c(Cl)c1 ZINC000178754049 510756871 /nfs/dbraw/zinc/75/68/71/510756871.db2.gz RCCUXMXARIMOCV-INIZCTEOSA-N 0 3 357.845 2.820 10 30 FFEEHN CN(C)C1(CNC(=O)[C@@H]2CCO[C@H]2c2ccnn2C)Cc2ccccc2C1 ZINC000330189796 510933960 /nfs/dbraw/zinc/93/39/60/510933960.db2.gz VNWPHIBHEHAGPZ-IEBWSBKVSA-N 0 3 368.481 2.553 10 30 FFEEHN C[C@@H](C(=O)NC1CCN(Cc2ccccc2)CC1)N1CCn2ccnc2C1 ZINC000329025273 511969039 /nfs/dbraw/zinc/96/90/39/511969039.db2.gz VEHQMSPADOJEJY-KRWDZBQOSA-N 0 3 367.497 2.708 10 30 FFEEHN C[C@@H]1C[C@H](NC(=O)N2CCC(CCN3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000329121063 511987246 /nfs/dbraw/zinc/98/72/46/511987246.db2.gz VYXJVODFUVMLGJ-VXIBKDFQSA-N 0 3 367.534 2.679 10 30 FFEEHN C[C@H](NC(=O)N1CC[C@@H]2CCN(C)C[C@H]21)c1ccccc1-n1cccn1 ZINC000329429073 512044457 /nfs/dbraw/zinc/04/44/57/512044457.db2.gz JSINFNXOXJRWBB-TXPKVOOTSA-N 0 3 353.470 2.873 10 30 FFEEHN C[C@@H]1CN2CCCC[C@H]2CN1CC(=O)NCc1cnn(-c2ccccc2)c1 ZINC000329643525 512081592 /nfs/dbraw/zinc/08/15/92/512081592.db2.gz IXHQBVBIDDZVNQ-XLIONFOSSA-N 0 3 367.497 2.887 10 30 FFEEHN O=C(NC[C@H]1CCCN(Cc2cccs2)C1)N1CC[C@@H](CCO)C1 ZINC000329774932 512096538 /nfs/dbraw/zinc/09/65/38/512096538.db2.gz MPZJPNUUKBFCOI-JKSUJKDBSA-N 0 3 351.516 2.578 10 30 FFEEHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2CC(=O)N(C)C2(C#N)CCCCC2)C1 ZINC000407961218 512975183 /nfs/dbraw/zinc/97/51/83/512975183.db2.gz BUGIAJBRRBPNTG-YRXWBPOGSA-N 0 3 361.530 2.933 10 30 FFEEHN CCCC(=O)NCC(=O)C(C#N)c1nc(-c2ccc(OC)cc2)cs1 ZINC000105762909 728508626 /nfs/dbraw/zinc/50/86/26/728508626.db2.gz OAHUOVPUBNVVIB-AWEZNQCLSA-N 0 3 357.435 2.911 10 30 FFEEHN C[C@H]1CN2CCCC[C@@H]2CN1CC(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000329672307 967929860 /nfs/dbraw/zinc/92/98/60/967929860.db2.gz UMFLWBJMXADBCE-QFBILLFUSA-N 0 3 370.497 2.960 10 30 FFEEHN CN(Cc1cn2ccccc2c1C#N)C1CCN(CCn2cccn2)CC1 ZINC000106129409 250241270 /nfs/dbraw/zinc/24/12/70/250241270.db2.gz WQLIDUCXHQXLFK-UHFFFAOYSA-N 0 3 362.481 2.604 10 30 FFEEHN Cc1nc(C)n(C[C@H]2CCCN(CCC(=O)Nc3sccc3C#N)C2)n1 ZINC000106181415 250251057 /nfs/dbraw/zinc/25/10/57/250251057.db2.gz JNPASBWTNZUWLR-HNNXBMFYSA-N 0 3 372.498 2.569 10 30 FFEEHN CN(CCC#N)c1ccc(CN2CCCN(c3cccnn3)CC2)cc1 ZINC000093150704 508125766 /nfs/dbraw/zinc/12/57/66/508125766.db2.gz FUTUNKIUNQMKRY-UHFFFAOYSA-N 0 3 350.470 2.539 10 30 FFEEHN COc1cc(C#N)ccc1OCCN1CCC[C@@H](Cc2noc(C)n2)C1 ZINC000157746014 508605769 /nfs/dbraw/zinc/60/57/69/508605769.db2.gz OOFUWJOHRPIAIT-INIZCTEOSA-N 0 3 356.426 2.592 10 30 FFEEHN C#CCCCCNC(=O)NCC1CCN(C[C@@H](O)c2ccccc2)CC1 ZINC000151408345 509010611 /nfs/dbraw/zinc/01/06/11/509010611.db2.gz PXKWKFNTBIFTEU-HXUWFJFHSA-N 0 3 357.498 2.535 10 30 FFEEHN C=CCOc1ccc(CN2CCCN(Cc3cnn(C)c3)CC2)cc1OC ZINC000121574592 509178814 /nfs/dbraw/zinc/17/88/14/509178814.db2.gz OFXIPFSSCQJLEB-UHFFFAOYSA-N 0 3 370.497 2.701 10 30 FFEEHN CC1([C@@H]2CCCN([C@H]3CCCN(c4ccc(C#N)cc4)C3=O)C2)OCCO1 ZINC000248476495 509337798 /nfs/dbraw/zinc/33/77/98/509337798.db2.gz YIHOLXLKKYIFOC-MJGOQNOKSA-N 0 3 369.465 2.529 10 30 FFEEHN C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000248661518 509424453 /nfs/dbraw/zinc/42/44/53/509424453.db2.gz XDYQLUAVGFYNPA-ICSRJNTNSA-N 0 3 358.530 2.648 10 30 FFEEHN CC[C@H]1CN(CC#Cc2ccc(C(F)(F)F)cc2)CCN1C[C@H](C)O ZINC000246126774 510307942 /nfs/dbraw/zinc/30/79/42/510307942.db2.gz DVZHEGKUCDDXKI-YJBOKZPZSA-N 0 3 354.416 2.834 10 30 FFEEHN C=CCN(CC=C)C(=O)c1ccc(NC(=O)N2CCN3CCC[C@H]3C2)cc1 ZINC000171891663 510431308 /nfs/dbraw/zinc/43/13/08/510431308.db2.gz LCBHGUHXGYMYRF-IBGZPJMESA-N 0 3 368.481 2.813 10 30 FFEEHN C[C@H](NC1CCN(Cc2ccc(C#N)cc2)CC1)c1nnc2n1CCCC2 ZINC000181834891 510618378 /nfs/dbraw/zinc/61/83/78/510618378.db2.gz WXQUHSYDGUUQII-INIZCTEOSA-N 0 3 364.497 2.801 10 30 FFEEHN N#Cc1ccc(OC[C@H](O)CN2CCC[C@@H]2C[C@H](O)c2ccccc2)cc1 ZINC000247642064 510867546 /nfs/dbraw/zinc/86/75/46/510867546.db2.gz TVWRGIPKLMJLMK-SJBKTWHCSA-N 0 3 366.461 2.886 10 30 FFEEHN Cn1nccc1[C@@H]1OCC[C@H]1C(=O)NCC1CCN(c2ccncc2)CC1 ZINC000330165724 510928783 /nfs/dbraw/zinc/92/87/83/510928783.db2.gz URYQOFQYFCTDOL-IEBWSBKVSA-N 0 3 369.469 2.766 10 30 FFEEHN CN(Cc1cc(F)ccc1C#N)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000328631914 511901301 /nfs/dbraw/zinc/90/13/01/511901301.db2.gz KYIIRVPYPNAAPB-OXJNMPFZSA-N 0 3 355.461 2.946 10 30 FFEEHN O=C(N[C@@H]1CCCN(Cc2ccccc2)C1)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000329427731 512045144 /nfs/dbraw/zinc/04/51/44/512045144.db2.gz GWZFLOJYCBHBNL-KZNAEPCWSA-N 0 3 356.470 2.616 10 30 FFEEHN C=CCN(CC=C)[C@@H]1CCc2c(c(C(=O)N3CCSCC3)nn2CC)C1 ZINC000014541465 518772590 /nfs/dbraw/zinc/77/25/90/518772590.db2.gz ISYVPAYPKBODNK-MRXNPFEDSA-N 0 3 374.554 2.623 10 30 FFEEHN CN(Cc1ccc(F)cc1C#N)C[C@@H]1CCCN(C)[C@H]1c1cncn1C ZINC000583620140 519344653 /nfs/dbraw/zinc/34/46/53/519344653.db2.gz FQJZDVZMBSMRTI-OXJNMPFZSA-N 0 3 355.461 2.946 10 30 FFEEHN